0 B11R1.83 C#Cc1ccc(cc1)NC=O 95370e205b84943a487b32541a22dd96 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.83 CCNc1ccc(cc1)CC 6ead712ee50631311185c30d29cb552f [0,0,0,0,0,0|2,0,2]=4 2 B11R1.83 CCNc1ccc(cc1)OC a4b97f177bf546e094eec7eb3e7f66dd [0,0,0,0,0,0|1,0,2]=3 3 B11R1.83 CCNc1ccc(cc1)SC 2ca52da4c1da9cde62caa1a44419ff80 [0,0,0,0,0,0|1,1,2]=4 4 B11R1.83 CCNc1ccc(cn1)OC c44cfeb78976afe80be2656977c9bd4f [0,0,0,0,0,0|2,0,2]=4 5 B11R1.83 CCNc1ccc(nc1)OC f4d105155d62bf756f43e6962da94cad [0,0,0,0,0,0|2,0,2]=4 6 B11R1.83 CCOc1ccc(cc1)CC 130be86bb5623a5d2837998dae082a29 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.83 CCOc1ccc(cc1)OC 78aacf22e7f5ffe52b6720f42ae387fa [0,0,0,0,0,0|1,0,2]=3 8 B11R1.83 CCOc1ccc(cc1)SC 5d7f5467819db3ffd93e8fef63951787 [0,0,0,0,0,0|1,1,2]=4 9 B11R1.83 CCOc1ccc(cn1)OC 317a1dd4ab9e793923d1d905a3d1d440 [0,0,0,0,0,0|2,0,2]=4 10 B11R1.83 CCOc1ccc(nc1)OC 2366f122826286c6a23f77bfc0704bc4 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.83 CCc1ccc(cc1)NC=O 3e8610d99c2c76fe0a620af2485f9af7 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.83 CCc1ccc(cc1)NCF 85d93b0251dae4defb6a8b0684fd5c6f [0,0,0,0,0,0|3,0,1]=4 13 B11R1.83 CCc1ccc(cc1)NCO 2632ca5f43af05f14260cfd180617e8c [0,0,0,0,0,0|3,0,1]=4 14 B11R1.83 CCc1ccc(cc1)OCF 7fda0752555f0e54fed3e99d547f54fb [0,0,0,0,0,0|3,0,1]=4 15 B11R1.83 CCc1ccc(cn1)NC=O 27d6453a5d8b728429751b40bd51b8df [0,0,0,0,0,0|4,0,0]=4 16 B11R1.83 CCc1ccc(nc1)NC=O 18bf2d8c4741781967fd58d448623b4c [0,0,0,0,0,0|4,0,0]=4 17 B11R1.83 COc1ccc(cc1)NC=O ac87369c17c8363b04f17408dd3a8237 [0,0,0,0,0,0|2,0,0]=2 18 B11R1.83 COc1ccc(cc1)NCF d45382bc213abd913ca6658bada7be75 [0,0,0,0,0,0|2,0,1]=3 19 B11R1.83 COc1ccc(cc1)NCO d05625bdde7ec9fe93b3548602d63490 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.83 COc1ccc(cc1)OCF c57197c0057f1929b85da0b4d46da439 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.83 COc1ccc(cn1)NC=O d82d033ac2ee0dd752f2c90ad770ea29 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.83 COc1ccc(cn1)NCF 39e62065a62a86d57ae69932d291a713 [0,0,0,0,0,0|3,0,1]=4 23 B11R1.83 COc1ccc(cn1)NCO 09127ddff408bb354a59d7b9e22d409b [0,0,0,0,0,0|3,0,1]=4 24 B11R1.83 COc1ccc(cn1)OCF 52c7d05416d2e2398b33c9d89007009a [0,0,0,0,0,0|3,0,1]=4 25 B11R1.83 COc1ccc(nc1)NC#N f51ed63f3e7cec9235239acf880f521c [0,0,0,0,0,0|3,0,1]=4 26 B11R1.83 COc1ccc(nc1)NC=O bf678dc9ba2fd7220284555df5bbb75b [0,0,0,0,0,0|3,0,0]=3 27 B11R1.83 COc1ccc(nc1)NCF b418ee0c46a24e507b153d4fc3a033da [0,0,0,0,0,0|3,0,1]=4 28 B11R1.83 COc1ccc(nc1)NCO dd971740949b3bd033bf931487b208d5 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.83 COc1ccc(nc1)OCF 4bc4bb56cbf9916e2cdbb0ffc7417346 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.83 COc1ccc(nn1)NC=O d57c50af40efbef5fe028e399ecea178 [0,0,0,0,0,0|4,0,0]=4 31 B11R1.83 COc1cnc(cn1)NC=O 18dcf3661b6cc15273eda845f3605595 [0,0,0,0,0,0|4,0,0]=4 32 B11R1.83 CSc1ccc(cc1)NC=O 9ba6c9bfa858e9ab1b1e9ea1b6cf97ce [0,0,0,0,0,0|2,1,0]=3 33 B11R1.83 CSc1ccc(cc1)NCF ccdeb19563ab831152cacec8a4c44c6e [0,0,0,0,0,0|2,1,1]=4 34 B11R1.83 CSc1ccc(cc1)NCO 61331800f1d8bc8bf7eb6fb9ed195143 [0,0,0,0,0,0|2,1,1]=4 35 B11R1.83 CSc1ccc(cc1)OCF e48244d1e7ba47db5989fabc9a3a04ba [0,0,0,0,0,0|2,1,1]=4 36 B11R1.83 CSc1ccc(cn1)NC=O 0995d7efa9e1a7f8f39f3d0d10cb504d [0,0,0,0,0,0|3,1,0]=4 37 B11R1.83 O=CNc1ccc(cc1)CO 02da734ee2802902e3cce3607911d666 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.1 CCNc1ccc(cc1)C 5bd280a2c0e051bd626f67ade06cc665 [1,0,0,0,0,0|1,0,2]=4 39 B10R1.1 CCOc1ccc(cc1)C 26efd14f9e8649940b64cdf1b3738f1b [1,0,0,0,0,0|1,0,2]=4 40 B10R1.1 Cc1ccc(cc1)NC=O 744bdaf803f21c7628c38778fb4c30d0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.1 Cc1ccc(cc1)NCF bc1e070a03926f4bf6c7312d5f79c7d7 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.1 Cc1ccc(cc1)NCO 626a801ae48c57fa3fcbb53e76d595f1 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 Cc1ccc(cc1)OCF 1ff33ac4ceb2cbf44a59770aa34ca71f [1,0,0,0,0,0|2,0,1]=4 44 B10R1.1 Cc1ccc(cn1)NC=O 489ceb64e1ca1dffde423b287e55343b [1,0,0,0,0,0|3,0,0]=4 45 B10R1.1 Cc1ccc(nc1)NC=O 787d7b6b5dd94952a200592a41c8b8b9 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.1 O=CNc1ccc(cc1)Br d7ce2fc8367b9f0ab0f2e59514baf831 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.1 O=CNc1ccc(cc1)Cl 6958240b257559c57e66b733208a1fd9 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.1 O=CNc1ccc(cc1)F bd58d24daf145acc5a6089d95f60a456 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.1 O=CNc1ccc(cc1)I 477097145ec69bf5f94c911c47fa12c8 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.1 O=CNc1ccc(cc1)S 4a89cce61b79984a4f73e03ba9acee66 [1,0,0,0,0,0|2,1,0]=4 51 B12R1.4 CCc1ccc(cc1)NC(=O)C fd4fbb7789d8d26e77cb294ee4075791 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.4 COc1ccc(cc1)NC(=O)C 61833518ec9f67d30125afaa9c6d53b4 [0,1,0,0,0,0|1,0,1]=3 53 B12R1.4 COc1ccc(cc1)NC(C)C ad2f50ef0d3f01d7a0822fd855d76ce7 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.4 COc1ccc(cc1)OC(C)C 8ab9bf357f184746ac612b947f092324 [0,1,0,0,0,0|1,0,2]=4 55 B12R1.4 COc1ccc(cn1)NC(=O)C 790ac623225a203381388074d389f1ce [0,1,0,0,0,0|2,0,1]=4 56 B12R1.4 COc1ccc(nc1)NC(=O)C f042c98476e57a2bbcd5ba399104aceb [0,1,0,0,0,0|2,0,1]=4 57 B12R1.4 CSc1ccc(cc1)NC(=O)C d9e42278a7f385aaf073985d52a28c35 [0,1,0,0,0,0|1,1,1]=4 58 B12R1.5 CCN(C)c1ccc(cc1)OC 06581141c2809c0bc310ea7a67bd5102 [0,1,0,0,0,0|1,0,2]=4 59 B12R1.5 COc1ccc(cc1)N(C)C=O 5bb0b6faea39a06966152d934d5acd3b [0,1,0,0,0,0|2,0,0]=3 60 B12R1.5 COc1ccc(cc1)N(C)CF d39b3366aec32235dd3334b33e15739f [0,1,0,0,0,0|2,0,1]=4 61 B12R1.5 COc1ccc(cc1)N(C)CO bcd2162661e5844ae708a4240803596f [0,1,0,0,0,0|2,0,1]=4 62 B12R1.5 COc1ccc(cn1)N(C)C=O cd9b938131a0ffc6e237c42eb4fea898 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.5 COc1ccc(nc1)N(C)C=O cadcdb8e3c358807a8cabf0bc3b8fa44 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.5 CSc1ccc(cc1)N(C)C=O bdbbb0e5bdf03b7900c9da3e0833e74d [0,1,0,0,0,0|2,1,0]=4 65 B12R1.71 C#CCNc1ccc(cc1)CC e396c4de5b143acbbcdc9604b82ec461 [0,1,0,0,0,0|1,0,2]=4 66 B12R1.71 C#CCNc1ccc(cc1)OC 5e3ad091da9c599ba023ae1f8b49852b [0,1,0,0,0,0|0,0,2]=3 67 B12R1.71 C#CCNc1ccc(cc1)SC 8e6ee234d7b9349b8e14aaa2efd9475e [0,1,0,0,0,0|0,1,2]=4 68 B12R1.71 C#CCNc1ccc(cn1)OC 93c817a91300dafeedc9e7479332c5c5 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.71 C#CCNc1ccc(nc1)OC dd540a037a016bdd0626c2163a1d8be1 [0,1,0,0,0,0|1,0,2]=4 70 B12R1.71 C#CCOc1ccc(cc1)CC 12f1b0744bbf1dee49cddc74f742bebb [0,1,0,0,0,0|1,0,2]=4 71 B12R1.71 C#CCOc1ccc(cc1)OC e995825f42e3fbf1c0cf9cf8550df4ea [0,1,0,0,0,0|0,0,2]=3 72 B12R1.71 C#CCOc1ccc(cc1)SC 4f53f1f6b9a90d293fc1db3601e2a2f1 [0,1,0,0,0,0|0,1,2]=4 73 B12R1.71 C#CCOc1ccc(cn1)OC c19ea7136817c4de852d5842546a4ca6 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.71 C#CCOc1ccc(nc1)OC fdd8fbee0c6a798964d2015013713b7d [0,1,0,0,0,0|1,0,2]=4 75 B12R1.71 C#Cc1ccc(cc1)CNC=O cc5ff075ee981f2fa69edf6cbc47c5c0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.71 C#Cc1ccc(cc1)NCC=C 43224f4bee9637aa59dbb7df87e9714d [0,1,0,0,0,0|1,0,1]=3 77 B12R1.71 C#Cc1ccc(cc1)NCC=O f60db590ec0235fb22609061a0f6ff27 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.71 C#Cc1ccc(cc1)OCC=C 969997d58dcefa646c5502213f6e13ed [0,1,0,0,0,0|1,0,1]=3 79 B12R1.71 C#Cc1ccc(cc1)OCC=O 120befd61c55366fed41c1abd3f36bf3 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.71 C#Cc1ccc(cn1)NCC=C c03a7d96f4e5f0d46294c7ca7924d02a [0,1,0,0,0,0|2,0,1]=4 81 B12R1.71 C#Cc1ccc(nc1)NCC=C 22c6f16bee2da5c41c0248c95d5d1767 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.71 C#Cc1ccc(nc1)OCC=C 9c5c8d5410b3e94626a27829e497dcb3 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.71 C=CCNc1ccc(cc1)C#N e7b5355384876c37e8e28dfaa6b884fd [0,1,0,0,0,0|2,0,0]=3 84 B12R1.71 C=CCNc1ccc(cc1)C=C d608b0da23fdf4ff2775caa612c34248 [0,1,0,0,0,0|1,0,1]=3 85 B12R1.71 C=CCNc1ccc(cc1)C=O 0f89165b7604c9ca1657e9037a23991f [0,1,0,0,0,0|2,0,0]=3 86 B12R1.71 C=CCNc1ccc(cc1)CC ee6ccaaac112d7b5de163c91f162a623 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.71 C=CCNc1ccc(cc1)CO 4bbc64c3d22978ccaa1ddce03b0e1a4c [0,1,0,0,0,0|2,0,0]=3 88 B12R1.71 C=CCNc1ccc(cc1)OC 7879fcf9c0ef007babe88b995bb49e8d [0,1,0,0,0,0|0,0,0]=1 89 B12R1.71 C=CCNc1ccc(cc1)SC a09a55ac58addb8f289fdcb80aff1412 [0,1,0,0,0,0|0,1,0]=2 90 B12R1.71 C=CCNc1ccc(cn1)C#N 05c187fb59023116164629b553e6688c [0,1,0,0,0,0|3,0,0]=4 91 B12R1.71 C=CCNc1ccc(cn1)C=C deabee7f2817dbf0b3f5b9c01700d95d [0,1,0,0,0,0|2,0,1]=4 92 B12R1.71 C=CCNc1ccc(cn1)C=O ed1f2354598230ebcdaa265feb350a45 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.71 C=CCNc1ccc(cn1)CC 2c0043fa7d78cc64eeaf7a273e09603d [0,1,0,0,0,0|2,0,0]=3 94 B12R1.71 C=CCNc1ccc(cn1)CCl 9b151a8a44caa30034843dc6c766320a [0,1,0,0,0,0|3,0,0]=4 95 B12R1.71 C=CCNc1ccc(cn1)CO 4a78e3aee54dc0f6022becb30d3864ea [0,1,0,0,0,0|3,0,0]=4 96 B12R1.71 C=CCNc1ccc(cn1)OC 41c5253f7e9b55530bfc5ba8e9e7f798 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.71 C=CCNc1ccc(cn1)SC bfdc1065ce0b1c2872c4ef6c1a501463 [0,1,0,0,0,0|1,1,0]=3 98 B12R1.71 C=CCNc1ccc(nc1)C#N 78de5950e2a213a90b0af1b275a4abe8 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.71 C=CCNc1ccc(nc1)C=O d6ef7e64e9a435ae985c2b8c16761cb7 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.71 C=CCNc1ccc(nc1)CC 2cff7b3f45a3fcc02fa93ffb97335b0f [0,1,0,0,0,0|2,0,0]=3 101 B12R1.71 C=CCNc1ccc(nc1)CO 8f9d55ea4b7ebf4d8548af25613af5df [0,1,0,0,0,0|3,0,0]=4 102 B12R1.71 C=CCNc1ccc(nc1)OC 6a121acfa13c55e45f89f965f1015ea2 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.71 C=CCNc1ccc(nc1)SC 0b6c9e8f766a57bff0ac933636b006ea [0,1,0,0,0,0|1,1,0]=3 104 B12R1.71 C=CCNc1ccc(nn1)CC 65cbf5809749263c2b0674fb647be640 [0,1,0,0,0,0|3,0,0]=4 105 B12R1.71 C=CCNc1ccc(nn1)OC ed42802c58cf09df8dc68d91aafd0498 [0,1,0,0,0,0|2,0,0]=3 106 B12R1.71 C=CCNc1cnc(cn1)CC ad75e9c80dfc4d3f4023282c7047704a [0,1,0,0,0,0|3,0,0]=4 107 B12R1.71 C=CCNc1cnc(cn1)OC a55e88498b0eebc3462136f9c3b86f38 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.71 C=CCNc1cnc(cn1)SC 3d9c181d45015fee8cb39a7b546ace56 [0,1,0,0,0,0|2,1,0]=4 109 B12R1.71 C=CCNc1cnc(nc1)CC d7ce91d2c6c1317ab45239a7052bfe2d [0,1,0,0,0,0|3,0,0]=4 110 B12R1.71 C=CCNc1cnc(nc1)OC d68df3dccef99130711c51af359aadc3 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.71 C=CCNc1cnc(nc1)SC 3161c4352e8683d8d70571125947ed36 [0,1,0,0,0,0|2,1,0]=4 112 B12R1.71 C=CCNc1ncc(cn1)CC 1e9dee74c12e263f5e7e2bb24aa23a37 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.71 C=CCNc1ncc(cn1)OC 187e9062596dfb226e349da630244c57 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.71 C=CCOc1ccc(cc1)C#N 73abce3d72972906ff273273522e89cd [0,1,0,0,0,0|2,0,0]=3 115 B12R1.71 C=CCOc1ccc(cc1)C=C a2f4c61a48df4954b72a2fe314f24f49 [0,1,0,0,0,0|1,0,1]=3 116 B12R1.71 C=CCOc1ccc(cc1)C=O 90da22876fdaa62cdbaf8c82428b5a45 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.71 C=CCOc1ccc(cc1)CC 62db6052befcc718fc496dad3a77b04e [0,1,0,0,0,0|1,0,0]=2 118 B12R1.71 C=CCOc1ccc(cc1)N=O 35b0847ffab20c950fd0b88adc48b21b [0,1,0,0,0,0|2,0,0]=3 119 B12R1.71 C=CCOc1ccc(cc1)OC a7948b7707b8016602da4e4edb34709c [0,1,0,0,0,0|0,0,0]=1 120 B12R1.71 C=CCOc1ccc(cc1)SC 277e4bfe07351a797941fc9c177a6789 [0,1,0,0,0,0|0,1,0]=2 121 B12R1.71 C=CCOc1ccc(cn1)C#N 9d48d019cd4c73b8c59674e583ed1442 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.71 C=CCOc1ccc(cn1)C=O 678cad21f93d7a20172d21dbfb844a2e [0,1,0,0,0,0|3,0,0]=4 123 B12R1.71 C=CCOc1ccc(cn1)CC 8ed163df48c3a6dad1e06064a124f003 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.71 C=CCOc1ccc(cn1)OC f3bd81e9f27a0a31140b94d8cd9765b1 [0,1,0,0,0,0|1,0,0]=2 125 B12R1.71 C=CCOc1ccc(nc1)C#N e054ec95c7e60506c7e588f01a72305a [0,1,0,0,0,0|3,0,0]=4 126 B12R1.71 C=CCOc1ccc(nc1)C=O 43f5285c1552e42825d6ebcede36143d [0,1,0,0,0,0|3,0,0]=4 127 B12R1.71 C=CCOc1ccc(nc1)OC 2a297efe0e79111c649b75de1a44bc8b [0,1,0,0,0,0|1,0,0]=2 128 B12R1.71 C=CCOc1ccc(nc1)SC 9fa8d9578dffe4c96c0762c430448a5a [0,1,0,0,0,0|1,1,0]=3 129 B12R1.71 C=CCOc1cnc(cn1)CC 6949767bfcdf57c1928fe9df26a03772 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.71 C=CCOc1cnc(nc1)OC 4eb3586a015b3bd0be0cfbe4ec899c1e [0,1,0,0,0,0|2,0,0]=3 131 B12R1.71 C=CCOc1cnc(nc1)SC 7ce24ed2c302ed711c378e8704ca8b80 [0,1,0,0,0,0|2,1,0]=4 132 B12R1.71 C=Cc1ccc(cc1)CNC=O b9a62adf96c9553799811fe72e299c20 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.71 C=Cc1ccc(cc1)NCC=O 06d09f15338a1267fe3e23535fdd5450 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.71 C=Cc1ccc(cc1)OCC=O 8426c42b1d5231bf6236be4f728b5910 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.71 CCCNc1ccc(cc1)CC 18681bd5a077639e070315f9c5ead6bc [0,1,0,0,0,0|1,0,2]=4 136 B12R1.71 CCCNc1ccc(cc1)OC 5ef38f04471b6d41619c77104109b7a1 [0,1,0,0,0,0|0,0,2]=3 137 B12R1.71 CCCNc1ccc(cc1)SC 5c3d3acd85641d2bc8849fea33561964 [0,1,0,0,0,0|0,1,2]=4 138 B12R1.71 CCCNc1ccc(cn1)OC ec55645fc2d30a4f626d8e36e653c232 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.71 CCCNc1ccc(nc1)OC 07613cd4680f3a74e7b48896540a87ae [0,1,0,0,0,0|1,0,2]=4 140 B12R1.71 CCCOc1ccc(cc1)CC 96cca871d75f432ff4ca383a1c75e964 [0,1,0,0,0,0|1,0,2]=4 141 B12R1.71 CCCOc1ccc(cc1)OC 0b61816165283f1506ed44c74ecbaebe [0,1,0,0,0,0|0,0,2]=3 142 B12R1.71 CCCOc1ccc(cc1)SC 479b0a3cc96ea63a2a5a2a1f41d91b56 [0,1,0,0,0,0|0,1,2]=4 143 B12R1.71 CCCOc1ccc(cn1)OC 8770cf1ff10c23f0403785c7cf39d6a4 [0,1,0,0,0,0|1,0,2]=4 144 B12R1.71 CCCOc1ccc(nc1)OC a32273ea1961ca137a7341afa8ac3428 [0,1,0,0,0,0|1,0,2]=4 145 B12R1.71 CCNCc1ccc(cc1)CC 3e2fb788aa7dc44753168a8243395fdd [0,1,0,0,0,0|1,0,2]=4 146 B12R1.71 CCNCc1ccc(cc1)OC 590310c69085c3b6b7de5eeac9230511 [0,1,0,0,0,0|0,0,2]=3 147 B12R1.71 CCNCc1ccc(cc1)SC 00ccf471bad170335d0bab0647cf5701 [0,1,0,0,0,0|0,1,2]=4 148 B12R1.71 CCNCc1ccc(cn1)OC f05c3e7a77bc1aa1e62353c999916e24 [0,1,0,0,0,0|1,0,2]=4 149 B12R1.71 CCNCc1ccc(nc1)OC 9124d8678e1aa7ce28d2b8871da0ed4c [0,1,0,0,0,0|1,0,2]=4 150 B12R1.71 CCOCc1ccc(cc1)CC 45f72f0a0f8fb8243e54c5aac869cd85 [0,1,0,0,0,0|1,0,2]=4 151 B12R1.71 CCOCc1ccc(cc1)OC d60caff2ba93c5dc9ab4d399fa52aa3c [0,1,0,0,0,0|0,0,2]=3 152 B12R1.71 CCOCc1ccc(cc1)SC 5e8be0892a30f0c5353894e85ab5ba9b [0,1,0,0,0,0|0,1,2]=4 153 B12R1.71 CCOCc1ccc(cn1)OC 68ee23be6983454168d0c17984e8abc4 [0,1,0,0,0,0|1,0,2]=4 154 B12R1.71 CCOCc1ccc(nc1)OC 566e23df7992712fb54d688e28cd0520 [0,1,0,0,0,0|1,0,2]=4 155 B12R1.71 CCc1ccc(cc1)CNC#N 80eabb00c3e3720de9c0ac9819fcfdec [0,1,0,0,0,0|2,0,1]=4 156 B12R1.71 CCc1ccc(cc1)CNC=O bc83eb8e345133ec32fddcb0cc538975 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.71 CCc1ccc(cc1)CNCF 37970714a8bf06b00feb4badc19d2ca3 [0,1,0,0,0,0|2,0,1]=4 158 B12R1.71 CCc1ccc(cc1)CNCO d6ef08e38bce48d4f302ca698d60897e [0,1,0,0,0,0|2,0,1]=4 159 B12R1.71 CCc1ccc(cc1)COCF 476622ea5ff8c5f296595de9335a942b [0,1,0,0,0,0|2,0,1]=4 160 B12R1.71 CCc1ccc(cc1)NCC#N 9198552693f3d8b73ae96e74b9b32953 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.71 CCc1ccc(cc1)NCC=O f22b3f0d835260f3ea2a66b32f225d1e [0,1,0,0,0,0|2,0,0]=3 162 B12R1.71 CCc1ccc(cc1)NCCF d86db07219c9f0e04813cc2f3408d376 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.71 CCc1ccc(cc1)NCCI 3fe2560c39fed59a074fbd198ccd561e [0,1,0,0,0,0|2,0,1]=4 164 B12R1.71 CCc1ccc(cc1)NCCO 59bb3be9e4823d1abaf1b030f05f44ce [0,1,0,0,0,0|2,0,1]=4 165 B12R1.71 CCc1ccc(cc1)NCCS b60d8f6f2f663a12d96ae8122add0901 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.71 CCc1ccc(cc1)NCOC 058ee6c7ecc6d51d387abed1e4de0f1d [0,1,0,0,0,0|2,0,1]=4 167 B12R1.71 CCc1ccc(cc1)NCSC 959018a16e5d1e7d1e8c5671bac2a437 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.71 CCc1ccc(cc1)OCC#N d2e4d5c4ad024b7763635c1cf7599efa [0,1,0,0,0,0|2,0,1]=4 169 B12R1.71 CCc1ccc(cc1)OCC=O be36dab03e57e44fb88db9aad450d084 [0,1,0,0,0,0|2,0,0]=3 170 B12R1.71 CCc1ccc(cc1)OCCF 44bec342bc60a7bc9354f50855d4a229 [0,1,0,0,0,0|2,0,1]=4 171 B12R1.71 CCc1ccc(cc1)OCCS e9c088276447c7262f9a23be1cd2c9c9 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.71 CCc1ccc(cc1)OCSC 862e8a105f4320dbd38b1167597d6d09 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.71 CCc1ccc(cn1)NCC=O b100bdb25953cb7f0102f875885f9567 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.71 CCc1ccc(nc1)NCC=O aa15f777d1d6fcad1b01eb7019f4babf [0,1,0,0,0,0|3,0,0]=4 175 B12R1.71 CCc1ccc(nc1)OCC=O 6621fb99f720cab0eac06006fb029b48 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.71 COCNc1ccc(cc1)OC f08bb6381e49f57d218c6141b71431a4 [0,1,0,0,0,0|1,0,1]=3 177 B12R1.71 COCNc1ccc(cc1)SC ae4247a861e0d9221250c21ef2ea1170 [0,1,0,0,0,0|1,1,1]=4 178 B12R1.71 COCNc1ccc(cn1)OC 6c7ee979a662b0a3fb5102b512653225 [0,1,0,0,0,0|2,0,1]=4 179 B12R1.71 COCNc1ccc(nc1)OC 3565c5e98d086131e44b3abd33644232 [0,1,0,0,0,0|2,0,1]=4 180 B12R1.71 COCOc1ccc(cc1)OC 2dd59a1a703d28b02af40dd932f195cf [0,1,0,0,0,0|1,0,1]=3 181 B12R1.71 COCOc1ccc(cc1)SC dd10472e8dd3da73df07a634244d412a [0,1,0,0,0,0|1,1,1]=4 182 B12R1.71 COCOc1ccc(cn1)OC a9f59c1f05a8d56817e6089403218a57 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.71 COCOc1ccc(nc1)OC 27d7a5a672ac2572da8133139cdbd266 [0,1,0,0,0,0|2,0,1]=4 184 B12R1.71 COc1ccc(cc1)CNC#N 8cf1817561081f77e6367615f7f3461b [0,1,0,0,0,0|1,0,1]=3 185 B12R1.71 COc1ccc(cc1)CNC=O db976ecf05e2f4cb858b2b428e1f3adf [0,1,0,0,0,0|1,0,0]=2 186 B12R1.71 COc1ccc(cc1)CNCF 32afdbf27d7dd3bfaba3889838097e52 [0,1,0,0,0,0|1,0,1]=3 187 B12R1.71 COc1ccc(cc1)CNCO 020083af321719f38499e8685d6c62a9 [0,1,0,0,0,0|1,0,1]=3 188 B12R1.71 COc1ccc(cc1)COCF 9616b61606be277168d66d79c532c507 [0,1,0,0,0,0|1,0,1]=3 189 B12R1.71 COc1ccc(cc1)NCC#N ac5b53cf7031ec8c653c9ec80530c277 [0,1,0,0,0,0|1,0,1]=3 190 B12R1.71 COc1ccc(cc1)NCC=O ad17f3b8982a8cd87c44d7b094938940 [0,1,0,0,0,0|1,0,0]=2 191 B12R1.71 COc1ccc(cc1)NCCF 8fee6635ccf1dd054d69e37a582bba86 [0,1,0,0,0,0|1,0,1]=3 192 B12R1.71 COc1ccc(cc1)NCCO b2b0da7e24a1ad0b5cbc5b972ddd499d [0,1,0,0,0,0|1,0,1]=3 193 B12R1.71 COc1ccc(cc1)NCCS 872cf7e11a4e185989cb4e3369d7cc0e [0,1,0,0,0,0|1,0,1]=3 194 B12R1.71 COc1ccc(cc1)NCSC b208afa1c3c9a9c83b84843e5243cb08 [0,1,0,0,0,0|1,0,1]=3 195 B12R1.71 COc1ccc(cc1)OCC#N e1f68096f3bf51f291ce525cf31bc20f [0,1,0,0,0,0|1,0,1]=3 196 B12R1.71 COc1ccc(cc1)OCC=O cf14009318b291383eaa11e0c7202ebb [0,1,0,0,0,0|1,0,0]=2 197 B12R1.71 COc1ccc(cc1)OCCF 0a2978e5f767018b19b099c16da15a7d [0,1,0,0,0,0|1,0,1]=3 198 B12R1.71 COc1ccc(cc1)OCCS c30044f3949cc33089abd838394b764c [0,1,0,0,0,0|1,0,1]=3 199 B12R1.71 COc1ccc(cc1)OCSC 60de989f1c896fefabcc4586edfbc7be [0,1,0,0,0,0|1,0,1]=3 200 B12R1.71 COc1ccc(cn1)CNC#N e14627446b23e4fedd961bdcc6b46758 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.71 COc1ccc(cn1)CNC=O da2fc565377c759843fc1dbfbbf54d93 [0,1,0,0,0,0|2,0,0]=3 202 B12R1.71 COc1ccc(cn1)CNCF f8a53662f666268cd0ddfd66f31e83e2 [0,1,0,0,0,0|2,0,1]=4 203 B12R1.71 COc1ccc(cn1)CNCO 0e439e3d6df65720ab3bdb5a404a423f [0,1,0,0,0,0|2,0,1]=4 204 B12R1.71 COc1ccc(cn1)COCF 4b2064e0041935e8773902bb24d13e82 [0,1,0,0,0,0|2,0,1]=4 205 B12R1.71 COc1ccc(cn1)NCC#N 6c91f50e47ea7f9ec0f4c5eeb5b5a90f [0,1,0,0,0,0|2,0,1]=4 206 B12R1.71 COc1ccc(cn1)NCC=O 7723b8e0f33a13ad5ba7042bbe31a032 [0,1,0,0,0,0|2,0,0]=3 207 B12R1.71 COc1ccc(cn1)NCCBr 4739827d094e085eca095e2d5e22dde3 [0,1,0,0,0,0|2,0,1]=4 208 B12R1.71 COc1ccc(cn1)NCCF 261945d4fff647a72a357bfa92789407 [0,1,0,0,0,0|2,0,1]=4 209 B12R1.71 COc1ccc(cn1)NCCI 9b81cd919bca83d26d02a75d49e00e41 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.71 COc1ccc(cn1)NCCO 366eee6ed8dd48c8de2e7e93900399df [0,1,0,0,0,0|2,0,1]=4 211 B12R1.71 COc1ccc(cn1)NCCS d481058279598ebaeced01cc63058fda [0,1,0,0,0,0|2,0,1]=4 212 B12R1.71 COc1ccc(cn1)NCSC f042d452b06b93a4205b1a263f1978c6 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.71 COc1ccc(cn1)OCC#N 14b8b32b4bc357df07129b59e120f2dd [0,1,0,0,0,0|2,0,1]=4 214 B12R1.71 COc1ccc(cn1)OCC=O bf066cdb3809b166e74febe7fadf750d [0,1,0,0,0,0|2,0,0]=3 215 B12R1.71 COc1ccc(cn1)OCCF bf74b9ccfec755e80c17faa22172ace4 [0,1,0,0,0,0|2,0,1]=4 216 B12R1.71 COc1ccc(cn1)OCCS 73f4c37e51fc4bfb205eb58ed7e3e6f6 [0,1,0,0,0,0|2,0,1]=4 217 B12R1.71 COc1ccc(cn1)OCSC 28ea33a77ade6429bd1a403cbe419e10 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.71 COc1ccc(nc1)CNC#N 6e3d96346563c0d966889ba6df6dd5a8 [0,1,0,0,0,0|2,0,1]=4 219 B12R1.71 COc1ccc(nc1)CNC=O 12ee1caca4b388f51f7c1986ce80501e [0,1,0,0,0,0|2,0,0]=3 220 B12R1.71 COc1ccc(nc1)CNCF 6419c107bd56cd7788683b1b14c7598e [0,1,0,0,0,0|2,0,1]=4 221 B12R1.71 COc1ccc(nc1)CNCO 93a2b0ffbacc7892fdb7d791e2b27864 [0,1,0,0,0,0|2,0,1]=4 222 B12R1.71 COc1ccc(nc1)COCF 1c483b85e32798efb9abd441835f58a9 [0,1,0,0,0,0|2,0,1]=4 223 B12R1.71 COc1ccc(nc1)NCC#N 415b02b19417a3a73b7cf2f15b7ab9ec [0,1,0,0,0,0|2,0,1]=4 224 B12R1.71 COc1ccc(nc1)NCC=O 266bb12205c6b4924b0a4d908331d6b8 [0,1,0,0,0,0|2,0,0]=3 225 B12R1.71 COc1ccc(nc1)NCCBr 6c771eb61390a78eb5df3a290a0adc5a [0,1,0,0,0,0|2,0,1]=4 226 B12R1.71 COc1ccc(nc1)NCCF 75a6fcb0aa67a93b4c0777b8eed2bb1e [0,1,0,0,0,0|2,0,1]=4 227 B12R1.71 COc1ccc(nc1)NCCI 47d8bd4b9eceb7b1497e1408766a82e3 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.71 COc1ccc(nc1)NCCO 6b19132e7f011ffae901f3713120c8ac [0,1,0,0,0,0|2,0,1]=4 229 B12R1.71 COc1ccc(nc1)NCCS caa56864ae5f9de9de52bee43e131e7a [0,1,0,0,0,0|2,0,1]=4 230 B12R1.71 COc1ccc(nc1)NCSC 87c699be7e38903a939317febbe3333a [0,1,0,0,0,0|2,0,1]=4 231 B12R1.71 COc1ccc(nc1)OCC#N a9d2f3723cc7faca078539941ef9f5a3 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.71 COc1ccc(nc1)OCC=O 142a7118a29dfca960578843b3b00e1c [0,1,0,0,0,0|2,0,0]=3 233 B12R1.71 COc1ccc(nc1)OCCF 878987feaa971179e8132ca65955b7ca [0,1,0,0,0,0|2,0,1]=4 234 B12R1.71 COc1ccc(nc1)OCCS f0774acd1323cc50a564a3c569af3111 [0,1,0,0,0,0|2,0,1]=4 235 B12R1.71 COc1ccc(nc1)OCSC df81e1b0c097b731fb4af16eb333c330 [0,1,0,0,0,0|2,0,1]=4 236 B12R1.71 COc1ccc(nn1)CNC=O 6431a25ec2ba9a58ff962e0e36fbbf46 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.71 COc1ccc(nn1)NCC=O 8b107b680ecd660c940c7877f3c2811e [0,1,0,0,0,0|3,0,0]=4 238 B12R1.71 COc1cnc(cn1)NCC=O d1314099f01eb2b1235f4d0efb6d784b [0,1,0,0,0,0|3,0,0]=4 239 B12R1.71 COc1cnc(nc1)NCC=O df202a6168f71d1d912b2f0c23ba3acd [0,1,0,0,0,0|3,0,0]=4 240 B12R1.71 COc1ncc(cn1)CNC=O e5a3685944ea41da39ce6e24e78f6eba [0,1,0,0,0,0|3,0,0]=4 241 B12R1.71 COc1ncc(cn1)NCC=O 1e856a34d97c1cf91593b39b150efa73 [0,1,0,0,0,0|3,0,0]=4 242 B12R1.71 COc1ncc(cn1)OCC=O 100e65478c15ac40c904c0e091126754 [0,1,0,0,0,0|3,0,0]=4 243 B12R1.71 CSCNc1ccc(cc1)SC 7f3e9c64e5b0cb0a769b4cbf02d56244 [0,1,0,0,0,0|1,1,1]=4 244 B12R1.71 CSCOc1ccc(cc1)SC ff7b85f950f9c942c1ec9071a16fe926 [0,1,0,0,0,0|1,1,1]=4 245 B12R1.71 CSc1ccc(cc1)CNC#N 143a4cc7b39cda6ec5c036ab9c8c6fd9 [0,1,0,0,0,0|1,1,1]=4 246 B12R1.71 CSc1ccc(cc1)CNC=O 971ff291f1a7db789d5efcc51aaa0672 [0,1,0,0,0,0|1,1,0]=3 247 B12R1.71 CSc1ccc(cc1)CNCF b9c9030359fa2f8c1fde2587c7cc2219 [0,1,0,0,0,0|1,1,1]=4 248 B12R1.71 CSc1ccc(cc1)CNCO 21c910e00e59dfce91d7cb8102e1f3e3 [0,1,0,0,0,0|1,1,1]=4 249 B12R1.71 CSc1ccc(cc1)COCF b51b996d52859efd05a68377ee66dfc3 [0,1,0,0,0,0|1,1,1]=4 250 B12R1.71 CSc1ccc(cc1)NCC#N 506d2af2e7e6c9321ae6977b039dc89b [0,1,0,0,0,0|1,1,1]=4 251 B12R1.71 CSc1ccc(cc1)NCC=O 0ae1d19fa75fe5021b031daea1ecf5e7 [0,1,0,0,0,0|1,1,0]=3 252 B12R1.71 CSc1ccc(cc1)NCCF 9464510ed505128eb206302d2b26e956 [0,1,0,0,0,0|1,1,1]=4 253 B12R1.71 CSc1ccc(cc1)NCCO 478295d89feae03334547871f0d6050c [0,1,0,0,0,0|1,1,1]=4 254 B12R1.71 CSc1ccc(cc1)NCCS 683171aa02bb4a901643cd8dc7a2cb9f [0,1,0,0,0,0|1,1,1]=4 255 B12R1.71 CSc1ccc(cc1)OCC#N f24279fee0b9aa25d38d7f986d5663ec [0,1,0,0,0,0|1,1,1]=4 256 B12R1.71 CSc1ccc(cc1)OCC=O 83a8aaa8ffe5e17ddfed14bcb3d02663 [0,1,0,0,0,0|1,1,0]=3 257 B12R1.71 CSc1ccc(cc1)OCCF 42d04b528d48174fa03ed012f3d659a7 [0,1,0,0,0,0|1,1,1]=4 258 B12R1.71 CSc1ccc(cc1)OCCS b094c235c79999c9e17b0cf74c010571 [0,1,0,0,0,0|1,1,1]=4 259 B12R1.71 CSc1ccc(cn1)NCC=O 0703efd513eb6b35edfd87217fbebb7f [0,1,0,0,0,0|2,1,0]=4 260 B12R1.71 CSc1ccc(cn1)OCC=O ff9e19ab70ad4074b43338d49b9f5d73 [0,1,0,0,0,0|2,1,0]=4 261 B12R1.71 CSc1ccc(nc1)NCC=O 0a9e385e9f8769a268cc23ae9fd3179d [0,1,0,0,0,0|2,1,0]=4 262 B12R1.71 N#Cc1ccc(cc1)CNC=O aca19e8137913e922029cd4c94a5b812 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.71 N#Cc1ccc(cc1)NCC=O 1ea6c6e8982e96cefa7455b4723b1d0b [0,1,0,0,0,0|3,0,0]=4 264 B12R1.71 N#Cc1ccc(cc1)OCC=O e8038fbef454a24dfa23d9e633c88c31 [0,1,0,0,0,0|3,0,0]=4 265 B12R1.71 O=CCNc1ccc(cc1)C=O 88fbc9d33bef5e524f3299598fa9994a [0,1,0,0,0,0|3,0,0]=4 266 B12R1.71 O=CCNc1ccc(cc1)CO 8ec2ba80753d1a8f3e874e37ad76c678 [0,1,0,0,0,0|3,0,0]=4 267 B12R1.71 O=CCOc1ccc(cc1)C=O 09b5d7c02de67a41a0f8cef1d721a351 [0,1,0,0,0,0|3,0,0]=4 268 B12R1.71 O=CCOc1ccc(cc1)N=O d39091425a3f217b5ddd9b58cdd1876a [0,1,0,0,0,0|3,0,0]=4 269 B12R1.71 O=CNCc1ccc(cc1)CBr e619452e2f894f80a08ae52293ab01a0 [0,1,0,0,0,0|3,0,0]=4 270 B12R1.71 O=CNCc1ccc(cc1)CO 42328e24588255ba4269d483437b154d [0,1,0,0,0,0|3,0,0]=4 271 B12R1.113 CC(=O)c1ccc(cc1)NC=O 69691b9a1ab6fd140ab79e5d9301effa [0,1,0,0,0,0|3,0,0]=4 272 B12R1.113 CC(C)c1ccc(cc1)NC=O 727afdd3875223419795a0f137a13873 [0,1,0,0,0,0|3,0,0]=4 273 B12R1.113 CC(O)c1ccc(cc1)NC=O 86a5fa456af9204a70128e3ffbf07737 [0,1,0,0,0,0|3,0,0]=4 274 B12R1.113 CN(C)c1ccc(cc1)NC=O 8adf36900254bf95cebbc5385341a0c7 [0,1,0,0,0,0|3,0,0]=4 275 B12R1.113 CS(=O)c1ccc(cc1)NC=O e4dea300fd44631e301ef72ebeb0d807 [0,1,0,0,0,0|2,1,0]=4 276 B12R1.114 CCNc1ccc(cc1Br)OC b1e147cacfa4a7f9c53768bb6193a555 [0,1,0,0,0,0|1,0,2]=4 277 B12R1.114 CCNc1ccc(cc1C)OC acbed43b8715c8ac6d98756bc2119fe3 [0,1,0,0,0,0|1,0,2]=4 278 B12R1.114 CCNc1ccc(cc1Cl)OC 2517d95b395e626f3bae70fe424ceffc [0,1,0,0,0,0|1,0,2]=4 279 B12R1.114 CCNc1ccc(cc1F)OC eff752696436e3c15cc1f0787fd9adf0 [0,1,0,0,0,0|1,0,2]=4 280 B12R1.114 CCNc1ccc(cc1I)OC ec8d456a49a196c741c38e76b5454eec [0,1,0,0,0,0|1,0,2]=4 281 B12R1.114 CCNc1ccc(cc1S)OC fa0f649ddc93154983b39d71cdb45845 [0,1,0,0,0,0|1,0,2]=4 282 B12R1.114 CCOc1ccc(cc1Br)OC dc86003f9d22430c6adb36465be33115 [0,1,0,0,0,0|1,0,2]=4 283 B12R1.114 CCOc1ccc(cc1C)OC 59795038146e64bc9fe83fb43ffe9bd0 [0,1,0,0,0,0|1,0,2]=4 284 B12R1.114 CCOc1ccc(cc1Cl)OC 07ae7103ee76cfd76cd580510d01c1aa [0,1,0,0,0,0|1,0,2]=4 285 B12R1.114 CCOc1ccc(cc1F)OC f590a84ebc2e54af410e056abdea8ea4 [0,1,0,0,0,0|1,0,2]=4 286 B12R1.114 CCOc1ccc(cc1I)OC 6a50611d1d13b3ad8aaf5692c2e7e8a1 [0,1,0,0,0,0|1,0,2]=4 287 B12R1.114 CCc1ccc(c(c1)Br)NC=O bb626aee8574821c1920417c64f7e044 [0,1,0,0,0,0|3,0,0]=4 288 B12R1.114 CCc1ccc(c(c1)C)NC=O 94ee0583a187e98b9a2ab55c2aa723f2 [0,1,0,0,0,0|3,0,0]=4 289 B12R1.114 CCc1ccc(c(c1)Cl)NC=O c8a0372f4ef0df3f415ee74757233034 [0,1,0,0,0,0|3,0,0]=4 290 B12R1.114 CCc1ccc(c(c1)F)NC=O 608a28a60e7afbbdaf447efa61a62591 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.114 CCc1ccc(c(c1)I)NC=O 86edc075f5ad9fb86be5c5a1785c069e [0,1,0,0,0,0|3,0,0]=4 292 B12R1.114 CCc1ccc(c(c1)O)NC=O 2abe6308f2821186ef6d59c4e362e9e9 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.114 COc1cc(c(cn1)NC=O)C 9db76da73cd2beea4c9cb1178685141f [0,1,0,0,0,0|3,0,0]=4 294 B12R1.114 COc1ccc(c(c1)Br)NC=O ddfae5424e591c9a4271562dad39b55c [0,1,0,0,0,0|2,0,0]=3 295 B12R1.114 COc1ccc(c(c1)Br)NCF fdccd1497ef2aabc9890d2720369044e [0,1,0,0,0,0|2,0,1]=4 296 B12R1.114 COc1ccc(c(c1)Br)NCO ef70c6e887ba1318f7f4697952c821cb [0,1,0,0,0,0|2,0,1]=4 297 B12R1.114 COc1ccc(c(c1)Br)OCF eeff112fb2ae406f9d7796fc5fffdcae [0,1,0,0,0,0|2,0,1]=4 298 B12R1.114 COc1ccc(c(c1)C)NC=O 98ed649e3c6a6beea83c3f234c39afbc [0,1,0,0,0,0|2,0,0]=3 299 B12R1.114 COc1ccc(c(c1)C)NCF d5325628d6484beb037e292b365d87a9 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.114 COc1ccc(c(c1)C)NCO b91ee632467a69529e270081ce572433 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.114 COc1ccc(c(c1)C)OCF e3e9959552877c2fcfd1ed08e204afd3 [0,1,0,0,0,0|2,0,1]=4 302 B12R1.114 COc1ccc(c(c1)Cl)NC=O 2f163d7a323be911d6187a35c0d31531 [0,1,0,0,0,0|2,0,0]=3 303 B12R1.114 COc1ccc(c(c1)Cl)NCF eb7c4d969c2f9de5e667efba2d77db23 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.114 COc1ccc(c(c1)Cl)NCO e7649e69ec1e43d992cc20e0ed8c6a44 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.114 COc1ccc(c(c1)Cl)OCF 6628664446baeb74dfae3e71babf1ca9 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.114 COc1ccc(c(c1)F)NC=O 0f17e1ed21050e32656f4ab79ca4efc0 [0,1,0,0,0,0|2,0,0]=3 307 B12R1.114 COc1ccc(c(c1)F)NCF ba40e0ddbbcb876427ccc41c83395fe5 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.114 COc1ccc(c(c1)F)NCO dbca4f7a87f77f9e8f601ca14a3e70d1 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.114 COc1ccc(c(c1)F)OCF 7e9573d9258a629bb1d2266727f9fa4d [0,1,0,0,0,0|2,0,1]=4 310 B12R1.114 COc1ccc(c(c1)I)NC=O 2967a843e5dc03d505dbf287f0d6bc5d [0,1,0,0,0,0|2,0,0]=3 311 B12R1.114 COc1ccc(c(c1)I)NCF a2f9e7610d8db5731cfe964ed1bb7e35 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.114 COc1ccc(c(c1)I)NCO 461c7e37f7b9aa1070131418e06bf864 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.114 COc1ccc(c(c1)I)OCF 1a0b1c8b8ef14484fd79addade72f1ea [0,1,0,0,0,0|2,0,1]=4 314 B12R1.114 COc1ccc(c(c1)O)NC=O 233025286c1dac51b30196669450cf92 [0,1,0,0,0,0|2,0,0]=3 315 B12R1.114 COc1ccc(c(c1)S)NC=O eba7f1b809452b9198b40b862ca33149 [0,1,0,0,0,0|2,0,0]=3 316 B12R1.114 COc1ccc(c(c1)S)NCF aa1457a19054efb2d6a570d0cd701ce5 [0,1,0,0,0,0|2,0,1]=4 317 B12R1.114 COc1ccc(c(c1)S)NCO 442db8b050ce84584bffdaf8b207e17b [0,1,0,0,0,0|2,0,1]=4 318 B12R1.114 COc1ccc(c(n1)C)NC=O 4a12a717667e42744f6cb1d1f624bda7 [0,1,0,0,0,0|3,0,0]=4 319 B12R1.114 COc1ccc(c(n1)F)NC=O 8a6951ed91f2d3e97009b1963a1e33a1 [0,1,0,0,0,0|3,0,0]=4 320 B12R1.114 COc1cnc(c(c1)C)NC=O bbbe27af149c37a6197ee93b01b6976f [0,1,0,0,0,0|3,0,0]=4 321 B12R1.114 COc1cnc(c(c1)F)NC=O 1b7969dce01250dcc59b5ddd189defd4 [0,1,0,0,0,0|3,0,0]=4 322 B12R1.114 CSc1ccc(c(c1)C)NC=O 9a48d57394962e5bd02eb8767c1d8906 [0,1,0,0,0,0|2,1,0]=4 323 B12R1.114 CSc1ccc(c(c1)F)NC=O 3e5df1557c540d35270d1ac332a5fa8a [0,1,0,0,0,0|2,1,0]=4 324 B12R1.116 C#CCc1ccc(cc1)OCC 217fd972950ef60d01ba20031e1c54d2 [0,1,0,0,0,0|0,0,2]=3 325 B12R1.116 C#CCc1ccc(cc1)OCF 9e6583f456bf93e14577f71f26d60283 [0,1,0,0,0,0|0,0,2]=3 326 B12R1.116 C=CCc1ccc(cc1)NC#N f19a4d9debb0ac2b8b8c5e8404a32bf5 [0,1,0,0,0,0|1,0,1]=3 327 B12R1.116 C=CCc1ccc(cc1)NC=O 7d8cdeb15f478123758cab5900c4fe41 [0,1,0,0,0,0|1,0,1]=3 328 B12R1.116 C=CCc1ccc(cc1)NCC 76cf3f6839e9819fdc0ccabbe1cba9a6 [0,1,0,0,0,0|1,0,0]=2 329 B12R1.116 C=CCc1ccc(cc1)NCF 8195ae7c4eff70f8049cff3cc284be29 [0,1,0,0,0,0|1,0,0]=2 330 B12R1.116 C=CCc1ccc(cc1)NCO 6baea3b81ead57f4ec52f061cab762ea [0,1,0,0,0,0|1,0,0]=2 331 B12R1.116 C=CCc1ccc(cc1)OCC e0366c1eaff6d402c4574bf903ad8f07 [0,1,0,0,0,0|0,0,0]=1 332 B12R1.116 C=CCc1ccc(cc1)OCF e067c7b0d3f177dbfecf720e8bbd3c28 [0,1,0,0,0,0|0,0,0]=1 333 B12R1.116 CCCc1ccc(cc1)NC=O aa18d4d4986e694d624f91117086e0d4 [0,1,0,0,0,0|3,0,0]=4 334 B12R1.116 CCCc1ccc(cc1)NCC 905c43004537010e264598b20c1cdd02 [0,1,0,0,0,0|1,0,2]=4 335 B12R1.116 CCCc1ccc(cc1)NCF afe48992e285551fbbecfcb2c7685970 [0,1,0,0,0,0|1,0,2]=4 336 B12R1.116 CCCc1ccc(cc1)NCO 428b7a12bce35053ad8cbd8e28c492c3 [0,1,0,0,0,0|1,0,2]=4 337 B12R1.116 CCCc1ccc(cc1)OCF 888893c523a3fe7879a9c7d418f35d17 [0,1,0,0,0,0|0,0,2]=3 338 B12R1.116 CCNc1ccc(cc1)CC#N 65231e28458245695241f6ccd544133b [0,1,0,0,0,0|2,0,1]=4 339 B12R1.116 CCNc1ccc(cc1)CCBr a13589b7bc423db3312e19b8f2a5e22a [0,1,0,0,0,0|2,0,1]=4 340 B12R1.116 CCNc1ccc(cc1)CCO a95accf379cea510f57d44904cc207c0 [0,1,0,0,0,0|2,0,1]=4 341 B12R1.116 CCNc1ccc(cc1)COC b610a9d71b5ba60f3928bbf09d0e5492 [0,1,0,0,0,0|1,0,2]=4 342 B12R1.116 CCNc1ccc(cc1)CSC 5433b1f0a74c0b5fa3877354c85b99f9 [0,1,0,0,0,0|2,0,1]=4 343 B12R1.116 CCNc1ccc(cc1)OCC 532b1e64c07417441c842e1b966cfedc [0,1,0,0,0,0|1,0,2]=4 344 B12R1.116 CCNc1ccc(cc1)OCF 8134a8e4d6947fcd0ff91985276d57bf [0,1,0,0,0,0|1,0,2]=4 345 B12R1.116 CCOc1ccc(cc1)CC#N 1bde56eb0d31b50c9403a5cddb293beb [0,1,0,0,0,0|1,0,1]=3 346 B12R1.116 CCOc1ccc(cc1)CC=O d396566923ca8b1263eeb7e7a1a9ca05 [0,1,0,0,0,0|1,0,0]=2 347 B12R1.116 CCOc1ccc(cc1)CCF 8e58c47608395f795be3a7e7c7f73e0d [0,1,0,0,0,0|1,0,1]=3 348 B12R1.116 CCOc1ccc(cc1)COC d54c81061959349a004f1282a936bd96 [0,1,0,0,0,0|1,0,1]=3 349 B12R1.116 CCOc1ccc(cc1)NC=O b2a95d08ee862dc8f9740ff99ca19d37 [0,1,0,0,0,0|2,0,0]=3 350 B12R1.116 CCOc1ccc(cc1)NCF eb00be5f7999409b139ec10bac3f698d [0,1,0,0,0,0|2,0,1]=4 351 B12R1.116 CCOc1ccc(cc1)NCO 30cd6a89be1ee5274c318c0b4fadddb2 [0,1,0,0,0,0|2,0,1]=4 352 B12R1.116 CCOc1ccc(cc1)OCC 38ab91c66f4b734b7bb132e224ee9558 [0,1,0,0,0,0|1,0,2]=4 353 B12R1.116 CCOc1ccc(cc1)OCF 137f0af2e139655f0b28e21c6a56b133 [0,1,0,0,0,0|1,0,2]=4 354 B12R1.116 CCOc1ccc(cc1)SCC 2be5fc0761daf22311becb0191f9348d [0,1,0,0,0,0|1,0,2]=4 355 B12R1.116 CCOc1ccc(cn1)NC=O da6331fe5425d4b576381760a5319c9f [0,1,0,0,0,0|3,0,0]=4 356 B12R1.116 CCOc1ccc(nc1)NC=O 4191d5d00414a1957545a6be816ef7ae [0,1,0,0,0,0|3,0,0]=4 357 B12R1.116 CCSc1ccc(cc1)OCF 002df6a8f93d9b5714e218fc645e5fa5 [0,1,0,0,0,0|1,0,2]=4 358 B12R1.116 COCc1ccc(cc1)NC=O d77b1cdc2fbf93e7688cef0ab91e7ec7 [0,1,0,0,0,0|2,0,0]=3 359 B12R1.116 COCc1ccc(cc1)NCF 131edac556f17ca171860ccf6e35cc75 [0,1,0,0,0,0|2,0,1]=4 360 B12R1.116 COCc1ccc(cc1)NCO 64c9edf13233cbcd6af31dc509e959b3 [0,1,0,0,0,0|2,0,1]=4 361 B12R1.116 COCc1ccc(cc1)OCF e95b5e21eea05cdc15b1ea5720eac490 [0,1,0,0,0,0|1,0,1]=3 362 B12R1.116 CSCc1ccc(cc1)NC=O d86b6d63ddc26225271756dd0ed3d5d0 [0,1,0,0,0,0|2,1,0]=4 363 B12R1.116 CSCc1ccc(cc1)NCF 609e730778c554ef393de6916e937b52 [0,1,0,0,0,0|2,0,1]=4 364 B12R1.116 CSCc1ccc(cc1)NCO cdb2607fb6f97f00e4c9b33d265a4e99 [0,1,0,0,0,0|2,0,1]=4 365 B12R1.116 FCCc1ccc(cc1)OCF 6adaf09a79baa9b987d71649c0e0d889 [0,1,0,0,0,0|1,0,1]=3 366 B12R1.116 FCNc1ccc(cc1)CCBr d00a961a7150126e1efcbf83f40e3302 [0,1,0,0,0,0|2,0,1]=4 367 B12R1.116 FCNc1ccc(cc1)OCF ff2d70c45e37cf048b503846b69de3e0 [0,1,0,0,0,0|2,0,1]=4 368 B12R1.116 N#CCc1ccc(cc1)NCF d6cde5c75bbf162473db4b26241373e2 [0,1,0,0,0,0|2,0,1]=4 369 B12R1.116 N#CCc1ccc(cc1)NCO 107be78d76668a4a55c1d59e2e1d8e3e [0,1,0,0,0,0|2,0,1]=4 370 B12R1.116 N#CCc1ccc(cc1)OCF a034161e7d0e2d5bc8bf311f93a9e868 [0,1,0,0,0,0|1,0,1]=3 371 B12R1.116 N#CNc1ccc(cc1)CC=O d0b729cd33d977814f9feca65eb7feab [0,1,0,0,0,0|2,0,1]=4 372 B12R1.116 O=CCc1ccc(cc1)OCF 9870f5aa35243ec3b3c997dda6c0ddd5 [0,1,0,0,0,0|1,0,0]=2 373 B12R1.116 O=CNc1ccc(cc1)CCBr 5e21c8f8accd603f00e48348bd2db86a [0,1,0,0,0,0|3,0,0]=4 374 B12R1.116 O=CNc1ccc(cc1)CCO 23a360879cf3725f1c436b5bd4d67e8e [0,1,0,0,0,0|3,0,0]=4 375 B12R1.116 O=CNc1ccc(cc1)OCF e04836327428587b8e216a769a7750c1 [0,1,0,0,0,0|2,0,0]=3 376 B12R1.116 OCCc1ccc(cc1)NCF 01a75113bfdb96733a673955714c8ed9 [0,1,0,0,0,0|2,0,1]=4 377 B12R1.116 OCCc1ccc(cc1)NCO 921ccbe6f94a546264ee4819a770db36 [0,1,0,0,0,0|2,0,1]=4 378 B12R1.116 OCNc1ccc(cc1)CCBr 9a93aa5185dbef9d28270e7b66cc5a72 [0,1,0,0,0,0|2,0,1]=4 379 B12R1.116 OCNc1ccc(cc1)OCF f5d09628b027941d08bb2c3fc009efdf [0,1,0,0,0,0|2,0,1]=4 380 B12R1.288 CCNc1ccc(c(c1)Br)OC f33755073e5a2f1b32a0c367ee8308cc [0,1,0,0,0,0|1,0,2]=4 381 B12R1.288 CCNc1ccc(c(c1)C)OC 5a357e499dde1220b4dac4279cc340ef [0,1,0,0,0,0|1,0,2]=4 382 B12R1.288 CCNc1ccc(c(c1)Cl)OC 5e37cf78a06e808f96e2e50f64d78827 [0,1,0,0,0,0|1,0,2]=4 383 B12R1.288 CCNc1ccc(c(c1)F)OC 8c0a18cfa5742be403f36667110ea17e [0,1,0,0,0,0|1,0,2]=4 384 B12R1.288 CCNc1ccc(c(c1)I)OC 7f04137b2021df2eef8ea4b417ce4caf [0,1,0,0,0,0|1,0,2]=4 385 B12R1.288 CCOc1ccc(c(c1)Br)OC eb16c24b24c083bcaf5993d2501889d4 [0,1,0,0,0,0|1,0,2]=4 386 B12R1.288 CCOc1ccc(c(c1)C)OC f971b9cac535e9e0fda2d524a5fae79d [0,1,0,0,0,0|1,0,2]=4 387 B12R1.288 CCOc1ccc(c(c1)Cl)OC 7c8d7fd4fe679eba974f97a0e07c291e [0,1,0,0,0,0|1,0,2]=4 388 B12R1.288 CCOc1ccc(c(c1)F)OC 707405be96b592f1043d3c2b907dd1f0 [0,1,0,0,0,0|1,0,2]=4 389 B12R1.288 CCOc1ccc(c(c1)I)OC 16096f6739c9be9148f00d7d9077f5a3 [0,1,0,0,0,0|1,0,2]=4 390 B12R1.288 CCc1ccc(cc1Br)NC=O 120daac571bc578cf76389a0f3020afe [0,1,0,0,0,0|3,0,0]=4 391 B12R1.288 CCc1ccc(cc1Cl)NC=O 9bd2dd2fe78f88c93db5ff8a6c1082bc [0,1,0,0,0,0|3,0,0]=4 392 B12R1.288 COc1ccc(cc1Br)NC=O 44975a2812b7f045b29d074f4a310503 [0,1,0,0,0,0|2,0,0]=3 393 B12R1.288 COc1ccc(cc1Br)NCF 2081496ae764baa535379f4c9720fc33 [0,1,0,0,0,0|2,0,1]=4 394 B12R1.288 COc1ccc(cc1Br)NCO 7612829464bd6ce4e95785a942977b8c [0,1,0,0,0,0|2,0,1]=4 395 B12R1.288 COc1ccc(cc1Br)OCF a80d9cd3f97f0030a28147826a207e60 [0,1,0,0,0,0|2,0,1]=4 396 B12R1.288 COc1ccc(cc1C)NC=O e21380362a143a9e55d09498f135355e [0,1,0,0,0,0|2,0,0]=3 397 B12R1.288 COc1ccc(cc1C)NCF b0efe241a58c5b9a665acf1aeff602da [0,1,0,0,0,0|2,0,1]=4 398 B12R1.288 COc1ccc(cc1C)NCO c2500a8fe7fc86a4da6a64fe3882dde9 [0,1,0,0,0,0|2,0,1]=4 399 B12R1.288 COc1ccc(cc1C)OCF 9ff5b7ad6a8dc967133e6849b5c3d122 [0,1,0,0,0,0|2,0,1]=4 400 B12R1.288 COc1ccc(cc1Cl)NC=O 48e4a48fff6474b7c2dd150da194d6cf [0,1,0,0,0,0|2,0,0]=3 401 B12R1.288 COc1ccc(cc1Cl)NCF d9a0b165c5de0147d33c563a7d349e34 [0,1,0,0,0,0|2,0,1]=4 402 B12R1.288 COc1ccc(cc1Cl)NCO aff5d8321c3c5a464f9a22fb711065ef [0,1,0,0,0,0|2,0,1]=4 403 B12R1.288 COc1ccc(cc1Cl)OCF 81f62b41b0ede62978c0e281a880b4c3 [0,1,0,0,0,0|2,0,1]=4 404 B12R1.288 COc1ccc(cc1F)NC=O 75643f36973b74889493123ff147791a [0,1,0,0,0,0|2,0,0]=3 405 B12R1.288 COc1ccc(cc1F)NCF b8913c0e21e68375661c162d023a7c2a [0,1,0,0,0,0|2,0,1]=4 406 B12R1.288 COc1ccc(cc1F)NCO b62f30c3a07be08d9cc643081b2ac8c5 [0,1,0,0,0,0|2,0,1]=4 407 B12R1.288 COc1ccc(cc1F)OCF 0e4cf4e58aaa38211af367f09a504b63 [0,1,0,0,0,0|2,0,1]=4 408 B12R1.288 COc1ccc(cc1I)NC=O bac8f07a5087910b7c32934a082bc728 [0,1,0,0,0,0|2,0,0]=3 409 B12R1.288 COc1ccc(cc1I)NCF 71285d2332367801effb6f8a60fc7a6d [0,1,0,0,0,0|2,0,1]=4 410 B12R1.288 COc1ccc(cc1I)NCO b5d4a57c9457f9486dbeb077ff44d0bc [0,1,0,0,0,0|2,0,1]=4 411 B12R1.288 COc1ccc(cc1I)OCF 4a59de0e97e9a9c47b8bd7f1837f96cb [0,1,0,0,0,0|2,0,1]=4 412 B12R1.288 COc1ccc(nc1C)NC=O 87e0a887fc4cf007cead78d9bb063340 [0,1,0,0,0,0|3,0,0]=4 413 B12R1.288 COc1ncc(cc1Cl)NC=O 3b2461b58c2501ee822f9a9c79fdab3d [0,1,0,0,0,0|3,0,0]=4 414 B12R1.288 CSc1ccc(cc1Cl)NC=O 362233f34fbd505ea46d5aeb92327365 [0,1,0,0,0,0|2,1,0]=4 415 B12R1.288 CSc1ccc(cc1F)NC=O 7f0fed20cbf50a5d57f575064b991be6 [0,1,0,0,0,0|2,1,0]=4 416 B12R2.143 O=CNc1ccc2c(c1)CC2 d443a04a00d8a94524884e4992c5abc5 [0,0,0,1,0,0|3,0,0]=4 417 B11R1.1 C#CCNc1ccc(cc1)C 34c9f197f971da874ae7626a0b74173e [1,1,0,0,0,0|0,0,2]=4 418 B11R1.1 C#CCOc1ccc(cc1)C 896547e9686664dd8ea557b7ec0e9941 [1,1,0,0,0,0|0,0,2]=4 419 B11R1.1 C=CCNc1ccc(=O)[nH]c1 a325db61d671abb4e00fdb99e8f49525 [1,1,0,0,0,0|1,0,1]=4 420 B11R1.1 C=CCNc1ccc(cc1)Br 8b2a9bff3ffe25a417572a2ff271e5fc [1,1,0,0,0,0|1,0,0]=3 421 B11R1.1 C=CCNc1ccc(cc1)C 62056623a0561a4540c8c52e6e31e32f [1,1,0,0,0,0|0,0,0]=2 422 B11R1.1 C=CCNc1ccc(cc1)Cl 0abc2df2ac22be65b98841965971ccfd [1,1,0,0,0,0|1,0,0]=3 423 B11R1.1 C=CCNc1ccc(cc1)F fefad214b2afc5e82912832cf062e6a3 [1,1,0,0,0,0|1,0,0]=3 424 B11R1.1 C=CCNc1ccc(cc1)I 10233b6ee7006f40e50da9f11b95a16b [1,1,0,0,0,0|1,0,0]=3 425 B11R1.1 C=CCNc1ccc(cc1)S 719398e8412f8b050af1b35db7f6d7b4 [1,1,0,0,0,0|0,1,0]=3 426 B11R1.1 C=CCNc1ccc(cn1)Br 4cdfb4adf6a4ed4049234786f80f5093 [1,1,0,0,0,0|2,0,0]=4 427 B11R1.1 C=CCNc1ccc(cn1)C 69310489aabd9701a4d10ac52c5406c3 [1,1,0,0,0,0|1,0,0]=3 428 B11R1.1 C=CCNc1ccc(cn1)Cl e4a6ea1fb0727106301394b0a51c4557 [1,1,0,0,0,0|2,0,0]=4 429 B11R1.1 C=CCNc1ccc(cn1)F b70ecb3a110be42b32c2dda805a83c8e [1,1,0,0,0,0|2,0,0]=4 430 B11R1.1 C=CCNc1ccc(cn1)I 11113504abe1b81b38be2cbe20fb2315 [1,1,0,0,0,0|2,0,0]=4 431 B11R1.1 C=CCNc1ccc(nc1)Br 96548a2b7e707048759323c91ccecc63 [1,1,0,0,0,0|2,0,0]=4 432 B11R1.1 C=CCNc1ccc(nc1)C 0775d7aca09dacf7c08840b5344e470c [1,1,0,0,0,0|1,0,0]=3 433 B11R1.1 C=CCNc1ccc(nc1)Cl 647833ca301742ceec4604db0d76243b [1,1,0,0,0,0|2,0,0]=4 434 B11R1.1 C=CCNc1ccc(nc1)F cd46b9976611ae0857345bbed67730e0 [1,1,0,0,0,0|2,0,0]=4 435 B11R1.1 C=CCNc1ccc(nc1)I 79a58a5a51154788ab1814f6da7f971d [1,1,0,0,0,0|2,0,0]=4 436 B11R1.1 C=CCNc1ccc(nn1)C 1e10b6ac47645041fa51e86907d9a056 [1,1,0,0,0,0|2,0,0]=4 437 B11R1.1 C=CCNc1cnc(cn1)C 06e87030907f755327eb94de71eadd9b [1,1,0,0,0,0|2,0,0]=4 438 B11R1.1 C=CCNc1cnc(nc1)C aee0257849af4ae01b29c2f0bcf4cacc [1,1,0,0,0,0|2,0,0]=4 439 B11R1.1 C=CCNc1ncc(cn1)C c3e9281437bbff1bdb7f93853a133775 [1,1,0,0,0,0|2,0,0]=4 440 B11R1.1 C=CCOc1ccc(cc1)Br 4caddf4c4fa821b8a23c3e22b37a63a5 [1,1,0,0,0,0|1,0,0]=3 441 B11R1.1 C=CCOc1ccc(cc1)C cef0428792cf4168ad9fd81785326672 [1,1,0,0,0,0|0,0,0]=2 442 B11R1.1 C=CCOc1ccc(cc1)Cl d433b2e6e63cf4589dfcd18b4828cc35 [1,1,0,0,0,0|1,0,0]=3 443 B11R1.1 C=CCOc1ccc(cc1)F 623e09165a78fc8bfadfaf0dca3fcb71 [1,1,0,0,0,0|1,0,0]=3 444 B11R1.1 C=CCOc1ccc(cc1)I 92187a6fbc41b07a7b0a3b019b772fa1 [1,1,0,0,0,0|1,0,0]=3 445 B11R1.1 C=CCOc1ccc(cc1)S 6f29ee42ebfe44e544a0b50ff22fc196 [1,1,0,0,0,0|0,1,0]=3 446 B11R1.1 C=CCOc1ccc(cn1)C 8a2dca273cf140e7b533538d6e8dea70 [1,1,0,0,0,0|1,0,0]=3 447 B11R1.1 C=CCOc1ccc(cn1)Cl b6ff899354e9122907a591ccb829f9ad [1,1,0,0,0,0|2,0,0]=4 448 B11R1.1 C=CCOc1ccc(cn1)F facabf634f0fad8a4913168749d53180 [1,1,0,0,0,0|2,0,0]=4 449 B11R1.1 C=CCOc1ccc(cn1)I 7bc832327782b6812e5b31737e9fb11e [1,1,0,0,0,0|2,0,0]=4 450 B11R1.1 C=CCOc1ccc(nc1)Br 81c3623bd02c5546f6586cc1d9f65c67 [1,1,0,0,0,0|2,0,0]=4 451 B11R1.1 C=CCOc1ccc(nc1)C b206ee1d68c039fece2f70ec21bc2aab [1,1,0,0,0,0|1,0,0]=3 452 B11R1.1 C=CCOc1ccc(nc1)Cl 2fdd631d57ad816a6e9c0ff189d4a683 [1,1,0,0,0,0|2,0,0]=4 453 B11R1.1 C=CCOc1ccc(nc1)F ce2cbc2e839cf58df8b55e74324f876e [1,1,0,0,0,0|2,0,0]=4 454 B11R1.1 C=CCOc1ccc(nc1)I 8abc45258f5e93c09754cda32ea57ca0 [1,1,0,0,0,0|2,0,0]=4 455 B11R1.1 C=CCOc1ccc(nn1)C 6eeaf1152e3f35fd4e1abaed0882b7e0 [1,1,0,0,0,0|2,0,0]=4 456 B11R1.1 C=CCOc1cnc(cn1)C d5c5a7942034c6bcf8a9e41b91b44ad0 [1,1,0,0,0,0|2,0,0]=4 457 B11R1.1 C=CCOc1cnc(nc1)C 5477d8a63810d919d0ce13483f3bf9cd [1,1,0,0,0,0|2,0,0]=4 458 B11R1.1 C=CCOc1ncc(cn1)C 722e7511cecba27ca55e06ee5d9db889 [1,1,0,0,0,0|2,0,0]=4 459 B11R1.1 CCCNc1ccc(cc1)C 60206ed79d50ce0b51d2c9baa6a9bfd8 [1,1,0,0,0,0|0,0,2]=4 460 B11R1.1 CCCOc1ccc(cc1)C 4fdcf2ff939bb0420513a197f77843e9 [1,1,0,0,0,0|0,0,2]=4 461 B11R1.1 CCNCc1ccc(cc1)C 587aa1ee1f45a7f7f3762adcf6ab1e89 [1,1,0,0,0,0|0,0,2]=4 462 B11R1.1 CCOCc1ccc(cc1)C 4d215a4a9529a309b910ed7006942890 [1,1,0,0,0,0|0,0,2]=4 463 B11R1.1 COCNc1ccc(cc1)C e4f246b36607f9f18bc5aa859e62100a [1,1,0,0,0,0|1,0,1]=4 464 B11R1.1 COCOc1ccc(cc1)C 6de4302c41d46032c578a0645b570acc [1,1,0,0,0,0|1,0,1]=4 465 B11R1.1 CSCNc1ccc(cc1)C 7cc547f88ae9a9501b6ce615095d8aea [1,1,0,0,0,0|1,0,1]=4 466 B11R1.1 CSCOc1ccc(cc1)C 35277f269b6e4bad5ee1cc6923a583fd [1,1,0,0,0,0|1,0,1]=4 467 B11R1.1 Cc1ccc(cc1)CNC#N 71ef650b7559551102b125c1e29d68e5 [1,1,0,0,0,0|1,0,1]=4 468 B11R1.1 Cc1ccc(cc1)CNC=O f28e952319097b22b95735c4699de02f [1,1,0,0,0,0|1,0,0]=3 469 B11R1.1 Cc1ccc(cc1)CNCF 3d235376bf58ba37ce4fc4687e7358b9 [1,1,0,0,0,0|1,0,1]=4 470 B11R1.1 Cc1ccc(cc1)CNCO a64a75f18e5667093ebf917d1b07eefc [1,1,0,0,0,0|1,0,1]=4 471 B11R1.1 Cc1ccc(cc1)COCF be23a3cdf78a8f91f485a087d32e2751 [1,1,0,0,0,0|1,0,1]=4 472 B11R1.1 Cc1ccc(cc1)NCC#N 136b2c6b9bc1df5a3223827f88881879 [1,1,0,0,0,0|1,0,1]=4 473 B11R1.1 Cc1ccc(cc1)NCC=O 4fda9751a355cee6e87b68007294a6d1 [1,1,0,0,0,0|1,0,0]=3 474 B11R1.1 Cc1ccc(cc1)NCCF 386681a63315a2a02458b9e317339172 [1,1,0,0,0,0|1,0,1]=4 475 B11R1.1 Cc1ccc(cc1)NCCI 021b0820ca00ee1bd1c722072e28fcea [1,1,0,0,0,0|1,0,1]=4 476 B11R1.1 Cc1ccc(cc1)NCCO c023022501f62f6373bdd984b07a8e61 [1,1,0,0,0,0|1,0,1]=4 477 B11R1.1 Cc1ccc(cc1)NCCS 6ed2fe969f35f3c0b0884c2a5f799763 [1,1,0,0,0,0|1,0,1]=4 478 B11R1.1 Cc1ccc(cc1)OCC#N 86188396c995adc062c1161e026ae446 [1,1,0,0,0,0|1,0,1]=4 479 B11R1.1 Cc1ccc(cc1)OCC=O 162ce958ced72925305b1c018b7b9598 [1,1,0,0,0,0|1,0,0]=3 480 B11R1.1 Cc1ccc(cc1)OCCF e658fde0065759000a395a993eb3f831 [1,1,0,0,0,0|1,0,1]=4 481 B11R1.1 Cc1ccc(cc1)OCCS 11a5d5c742743cac8e072d93bc1a4fc6 [1,1,0,0,0,0|1,0,1]=4 482 B11R1.1 Cc1ccc(cn1)CNC=O 0656b402618b49c90168e7242c0fcbdc [1,1,0,0,0,0|2,0,0]=4 483 B11R1.1 Cc1ccc(cn1)NCC=O 7439e10ed55dd1e528cab84804f12e75 [1,1,0,0,0,0|2,0,0]=4 484 B11R1.1 Cc1ccc(cn1)OCC=O 2a39bf4a58c0d8aceda49eebdc8172fd [1,1,0,0,0,0|2,0,0]=4 485 B11R1.1 Cc1ccc(nc1)CNC=O 7aedc132fef308dfc15f94cda828d0c7 [1,1,0,0,0,0|2,0,0]=4 486 B11R1.1 Cc1ccc(nc1)NCC=O 23170e75e9c1547827bd3e77cba1986b [1,1,0,0,0,0|2,0,0]=4 487 B11R1.1 Cc1ccc(nc1)OCC=O eaef19022409ea2a4bfc2c9e7ad6f59e [1,1,0,0,0,0|2,0,0]=4 488 B11R1.1 O=CCNc1ccc(cc1)Br 067d274438faf6d9fcab66fd29258ceb [1,1,0,0,0,0|2,0,0]=4 489 B11R1.1 O=CCNc1ccc(cc1)Cl 41b414055a7467fa4ebaefd379ab1983 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.1 O=CCNc1ccc(cc1)F 9418682bb19d7c85499b950cc4c78703 [1,1,0,0,0,0|2,0,0]=4 491 B11R1.1 O=CCNc1ccc(cc1)I 462a43a2f94fdd33735b683d048a6cd2 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 O=CCNc1ccc(cc1)S 41cbf28e78476350d293660db103d06a [1,1,0,0,0,0|1,1,0]=4 493 B11R1.1 O=CCOc1ccc(cc1)Br def7cf0118e06efe61ec327fa54d11e7 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.1 O=CCOc1ccc(cc1)Cl bcb6224d95a5b97cffcadb5c4c5a4052 [1,1,0,0,0,0|2,0,0]=4 495 B11R1.1 O=CCOc1ccc(cc1)F a06e8c0a346f32fa4e5da7005cc6fb47 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.1 O=CCOc1ccc(cc1)I 09bd69e9ed964a5fd067081d62efe043 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.1 O=CCOc1ccc(cc1)S 51195d57e8dd52ea3f1d1dcd968cb246 [1,1,0,0,0,0|1,1,0]=4 498 B11R1.1 O=CNCc1ccc(cc1)Br 7fdb86c6f5b6081ac41b52a92cf2f5e3 [1,1,0,0,0,0|2,0,0]=4 499 B11R1.1 O=CNCc1ccc(cc1)Cl 8ffb7078771c32a3c5bc07dbadbb86a6 [1,1,0,0,0,0|2,0,0]=4 500 B11R1.1 O=CNCc1ccc(cc1)F 3e4ad2d82aa5aa82d165556940f63f30 [1,1,0,0,0,0|2,0,0]=4 501 B11R1.1 O=CNCc1ccc(cc1)I d9e15a2b5847e4b3042d0429177d8bdb [1,1,0,0,0,0|2,0,0]=4 502 B11R1.1 O=CNCc1ccc(cc1)O b53af60aaa3757bc79f5fc548fffc7cb [1,1,0,0,0,0|1,0,0]=3 503 B11R1.1 O=CNCc1ccc(cn1)O 98f44ba042ce476bbfb546d11c71ead1 [1,1,0,0,0,0|2,0,0]=4 504 B11R1.20 CC(=O)Nc1ccc(cc1)C 060ccd1dbafbff371ab707f9c77c6f54 [1,1,0,0,0,0|1,0,1]=4 505 B11R1.20 CC(=O)Nc1ccc(cc1)O e18f517b63a8d6b7b93bbe5e1805e49b [1,1,0,0,0,0|1,0,1]=4 506 B11R1.22 CN(C=O)c1ccc(cc1)O 71050cca6cc6c2a34d54c8525596398a [1,1,0,0,0,0|2,0,0]=4 507 B11R1.22 Cc1ccc(cc1)N(C)C=O c253ca59971334503e7e1b5bdad7856f [1,1,0,0,0,0|2,0,0]=4 508 B11R1.81 Cc1cc(ccc1NC=O)O b1b23157ed1fe99a4c2eda65412ec059 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.81 Cc1ccc(c(c1)C)NC=O b6de18d6a5af664cf7380b594d55222f [1,1,0,0,0,0|2,0,0]=4 510 B11R1.81 Cc1ccc(c(c1)F)NC=O 69fcfd4caa06192a19152662c4d96683 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.81 Cc1ccc(c(c1)I)NC=O 1fffdd066788e8f79f9621c7bc8c55f9 [1,1,0,0,0,0|2,0,0]=4 512 B11R1.81 Cc1ccc(c(c1)S)NC=O dc1b5e412e375e54febfa038f02f3bd5 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.81 O=CNc1ccc(cc1F)O 04e5c7b376bfb362c264ab1bfa3bb083 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.81 O=CNc1ccc(cc1I)O 2dfd90a41cfbe025b74df96f76a333fc [1,1,0,0,0,0|2,0,0]=4 515 B11R1.192 Cc1cc(ccc1O)NC=O b2128be444c4941d7461c2133e3f1404 [1,1,0,0,0,0|2,0,0]=4 516 B11R1.192 Cc1ccc(cc1Br)NC=O b8ad44cdfc30ba0712c4fcb3bffef67d [1,1,0,0,0,0|2,0,0]=4 517 B11R1.192 Cc1ccc(cc1C)NC=O a20e2fc00505cb2bf716c0ce53bd5437 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.192 Cc1ccc(cc1Cl)NC=O 6987f178b40d9da5c11f7bfe8a424893 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.192 Cc1ccc(cc1F)NC=O 074b4f5fa416caa530c79909a5ef986c [1,1,0,0,0,0|2,0,0]=4 520 B11R1.192 Cc1ccc(cc1I)NC=O 3366cd025020ab7d3bbae0a8ef58de9b [1,1,0,0,0,0|2,0,0]=4 521 B11R1.192 Cc1ccc(cc1O)NC=O 1fed40afe5c6012e54575d48d6919565 [1,1,0,0,0,0|2,0,0]=4 522 B11R1.192 O=CNc1ccc(c(c1)O)O 2e82d382d9b1d088dc65918920e27b4a [1,1,0,0,0,0|2,0,0]=4 523 B11R1.127 C=CCn1cc(cn1)OCC cc650458d8609792f202eb89d788bbdc [0,1,0,0,1,0|2,0,0]=4 524 B11R1.127 C=CCn1cc(cn1)OCF 8ff7956a5728f40ac007da959be031f0 [0,1,0,0,1,0|2,0,0]=4 525 B11R1.214 C=CCNc1cc([nH]n1)OC da3d4830836054356cc95507184b2b73 [0,1,0,0,1,0|2,0,0]=4 526 B11R1.214 C=CCNc1cc(no1)OC bc317254aca591ec09a9244d11415e29 [0,1,0,0,1,0|2,0,0]=4 527 B11R1.214 C=CCNc1cc(on1)OC 6e54cd36845a6e98861d59a291eb5839 [0,1,0,0,1,0|2,0,0]=4 528 B11R1.214 C=CCNc1cnc(s1)OC c49e19727377c50abc96407b2ec43567 [0,1,0,0,1,0|2,0,0]=4 529 B11R1.214 C=CCNc1ncc(s1)OC d5d8cab380dfbe8e7eac180667d42a52 [0,1,0,0,1,0|2,0,0]=4 530 B13R1.5 C#CC(C)Oc1ccc(cc1)OC dc07d893bb0ed4f2c1d929642fd24745 [0,2,0,0,0,0|0,0,2]=4 531 B13R1.5 C#Cc1ccc(cc1)NC(C)C=C 3e6c4910c023c6931235389f27fdeae4 [0,2,0,0,0,0|1,0,1]=4 532 B13R1.5 C#Cc1ccc(cc1)OC(C)C=C 9b62bca12640f96a13128e64e8b7736a [0,2,0,0,0,0|1,0,1]=4 533 B13R1.5 C=CC(=O)Nc1ccc(cc1)CC 95762eb3723b1f84d0ad0128a3312ce0 [0,2,0,0,0,0|1,0,1]=4 534 B13R1.5 C=CC(=O)Nc1ccc(cc1)OC c59585c2a73dbf7bdb8eaf9f1ec67bbe [0,2,0,0,0,0|0,0,1]=3 535 B13R1.5 C=CC(=O)Nc1ccc(cc1)SC b14d1625474cb3fe25922f9b2fd819f6 [0,2,0,0,0,0|0,1,1]=4 536 B13R1.5 C=CC(=O)Nc1ccc(cn1)OC d5498a38ece2a3a9bf97fe4d24751208 [0,2,0,0,0,0|1,0,1]=4 537 B13R1.5 C=CC(=O)Nc1ccc(nc1)OC b8748d1c32217dee16374835c7d0ef3f [0,2,0,0,0,0|1,0,1]=4 538 B13R1.5 C=CC(C)Nc1ccc(cc1)C#N 7556af410f81e86a6dead539f3867e54 [0,2,0,0,0,0|2,0,0]=4 539 B13R1.5 C=CC(C)Nc1ccc(cc1)C=O 7368c8f126a9a7196545c2e9a8e978e3 [0,2,0,0,0,0|2,0,0]=4 540 B13R1.5 C=CC(C)Nc1ccc(cc1)CC 6d7d8ba30a583101f8169cb81608e3a2 [0,2,0,0,0,0|1,0,0]=3 541 B13R1.5 C=CC(C)Nc1ccc(cc1)CF 83433bdb8081f2903f0d6880282040bc [0,2,0,0,0,0|2,0,0]=4 542 B13R1.5 C=CC(C)Nc1ccc(cc1)CO 9cfdc7256a9631936c2644ceef2c9b93 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.5 C=CC(C)Nc1ccc(cc1)CS c78e8cdf3bba17808a9de04efb3148f3 [0,2,0,0,0,0|2,0,0]=4 544 B13R1.5 C=CC(C)Nc1ccc(cc1)NO d5709e46f70353959e99de5ba85e01c1 [0,2,0,0,0,0|2,0,0]=4 545 B13R1.5 C=CC(C)Nc1ccc(cc1)OC 49f2eea7ce2c217d5c6ffbcf2d2a1f26 [0,2,0,0,0,0|0,0,0]=2 546 B13R1.5 C=CC(C)Nc1ccc(cc1)SC 30af08c1a37078d2dcbade8d8de7ff8f [0,2,0,0,0,0|0,1,0]=3 547 B13R1.5 C=CC(C)Nc1ccc(cn1)CC cbe4370e431ef879e96a6c750dd19499 [0,2,0,0,0,0|2,0,0]=4 548 B13R1.5 C=CC(C)Nc1ccc(cn1)OC c693d1246c0288f435c01b2e8db92311 [0,2,0,0,0,0|1,0,0]=3 549 B13R1.5 C=CC(C)Nc1ccc(cn1)SC 9f1f226d33a7a7b7663d063c6833b2cc [0,2,0,0,0,0|1,1,0]=4 550 B13R1.5 C=CC(C)Nc1ccc(nc1)CC 22fdb31af21a462068d2ab027bf1d887 [0,2,0,0,0,0|2,0,0]=4 551 B13R1.5 C=CC(C)Nc1ccc(nc1)OC c60e3c26868ff09690ae5d6ab7f7e1f1 [0,2,0,0,0,0|1,0,0]=3 552 B13R1.5 C=CC(C)Nc1ccc(nc1)SC 5606cacd30510eff905add6ccaa10e0a [0,2,0,0,0,0|1,1,0]=4 553 B13R1.5 C=CC(C)Nc1ccc(nn1)OC bd23661c3a0a5140ee3e917a62d8f042 [0,2,0,0,0,0|2,0,0]=4 554 B13R1.5 C=CC(C)Nc1cnc(cn1)OC 880cea4424f0013b854cb685c9388004 [0,2,0,0,0,0|2,0,0]=4 555 B13R1.5 C=CC(C)Nc1cnc(nc1)OC 48ebf7d4b851b064cf6ca5b001f04eeb [0,2,0,0,0,0|2,0,0]=4 556 B13R1.5 C=CC(C)Nc1ncc(cn1)OC c6fb3e4832dc038f33be5c47c0fd88b7 [0,2,0,0,0,0|2,0,0]=4 557 B13R1.5 C=CC(C)Oc1ccc(cc1)C#N 28cc8e69cd2018badd04af7a08e42dbf [0,2,0,0,0,0|2,0,0]=4 558 B13R1.5 C=CC(C)Oc1ccc(cc1)C=O 315aed7b2e2836516e21be54d340cbc8 [0,2,0,0,0,0|2,0,0]=4 559 B13R1.5 C=CC(C)Oc1ccc(cc1)CC fc929d87e6e5e1d4c291970f060f7230 [0,2,0,0,0,0|1,0,0]=3 560 B13R1.5 C=CC(C)Oc1ccc(cc1)N=O 370a5e6626a7f5f9408928c71221870b [0,2,0,0,0,0|2,0,0]=4 561 B13R1.5 C=CC(C)Oc1ccc(cc1)OC fc7381e091bba7dcdd9da58b3bea7612 [0,2,0,0,0,0|0,0,0]=2 562 B13R1.5 C=CC(C)Oc1ccc(cc1)SC 23a3ff2652c2d97441d4a070331289aa [0,2,0,0,0,0|0,1,0]=3 563 B13R1.5 C=CC(C)Oc1ccc(cn1)CC e69a0f717ce6b7ade214edbb699d3d90 [0,2,0,0,0,0|2,0,0]=4 564 B13R1.5 C=CC(C)Oc1ccc(cn1)OC 3284f2c0f58e954aad8db76e08fb2d01 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.5 C=CC(C)Oc1ccc(nc1)OC 13fd16ced656542400fd51cd79881877 [0,2,0,0,0,0|1,0,0]=3 566 B13R1.5 C=CC(C)Oc1ccc(nc1)SC 16afa4b2986bb130a38e17cd266cbc01 [0,2,0,0,0,0|1,1,0]=4 567 B13R1.5 C=CC(C)Oc1cnc(nc1)OC 102f760d45485939396a0fc1315d8cb5 [0,2,0,0,0,0|2,0,0]=4 568 B13R1.5 C=Cc1ccc(cc1)NC(C)C=C e33b8a0254d0bc411dc9385c81a248ad [0,2,0,0,0,0|1,0,1]=4 569 B13R1.5 C=Cc1ccc(cc1)OC(C)C=C 159e47468063d3f18e09302e3ba88a53 [0,2,0,0,0,0|1,0,1]=4 570 B13R1.5 CCC(C)Nc1ccc(cc1)OC b5d98817a86b0be68e32cf6e86012842 [0,2,0,0,0,0|0,0,2]=4 571 B13R1.5 CCC(C)Oc1ccc(cc1)OC ddec374cfdc0d6c49a2b118bfc4d8f4d [0,2,0,0,0,0|0,0,2]=4 572 B13R1.5 CCN(C)Cc1ccc(cc1)OC ed4cb1b93fc1533918604806570ccdd5 [0,2,0,0,0,0|0,0,2]=4 573 B13R1.5 CCc1ccc(cc1)CN(C)C=O f60d512b0e1626a7a8b78f1f21e5e05e [0,2,0,0,0,0|2,0,0]=4 574 B13R1.5 CCc1ccc(cc1)NC(=O)C=O 3ec375d5c623ca232ce818ec8fe4d575 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.5 CCc1ccc(cc1)NC(C)C=O cb3d68455d08cf43208de04422870113 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.5 CCc1ccc(cc1)N[C@H](C)C=O 8487068cc3447bdcb3f68555764a50e1 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.5 CCc1ccc(cc1)OC(C)C=O fab312a814ca46e31f28a382bf448c21 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.5 CCc1ccc(cc1)O[C@H](C)C=O bd318b1662a0fd9f409a2f027e996b0b [0,2,0,0,0,0|2,0,0]=4 579 B13R1.5 COc1ccc(cc1)CN(C)C=O 55abd2f6f87391243fe8030bf04d3300 [0,2,0,0,0,0|1,0,0]=3 580 B13R1.5 COc1ccc(cc1)CN(C)CF 840f7cd22bafd0b2e1856a8ccc16c92e [0,2,0,0,0,0|1,0,1]=4 581 B13R1.5 COc1ccc(cc1)CN(C)CO 005588f2db046fd4c238b5fc233ae007 [0,2,0,0,0,0|1,0,1]=4 582 B13R1.5 COc1ccc(cc1)NC(=O)C=O e4af39298311820a599b7a1eb7e70f02 [0,2,0,0,0,0|1,0,0]=3 583 B13R1.5 COc1ccc(cc1)NC(C)C=O 07bf8bc9c8fdb21748690c6dd1e7338e [0,2,0,0,0,0|1,0,0]=3 584 B13R1.5 COc1ccc(cc1)NC(C)CO 93806937d6aafb69cb39b050e4b899f7 [0,2,0,0,0,0|1,0,1]=4 585 B13R1.5 COc1ccc(cc1)N[C@@H](C)CO 4073b5c366af28a2a4b83c690d9a0704 [0,2,0,0,0,0|1,0,1]=4 586 B13R1.5 COc1ccc(cc1)N[C@H](C)C=O 599a3db48368161836ab024f53fd3be8 [0,2,0,0,0,0|1,0,0]=3 587 B13R1.5 COc1ccc(cc1)N[C@H](C)CO e4e59eb42baeb2111a01ce947e26dab7 [0,2,0,0,0,0|1,0,1]=4 588 B13R1.5 COc1ccc(cc1)OC(C)C=O f528eae82d204fc6b15e94884f956d1c [0,2,0,0,0,0|1,0,0]=3 589 B13R1.5 COc1ccc(cc1)O[C@H](C)C=O 50ee912bd8f12762c8bfb8bc1f9178ca [0,2,0,0,0,0|1,0,0]=3 590 B13R1.5 COc1ccc(cn1)NC(=O)C=O 7c187c134b344da10005e4ed2cd631ea [0,2,0,0,0,0|2,0,0]=4 591 B13R1.5 COc1ccc(cn1)NC(C)C=O 8e50c3bb3151c808fc07fa1935d93db5 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.5 COc1ccc(cn1)N[C@H](C)C=O c2977a97321d94c880c49c8bed8fc946 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.5 COc1ccc(cn1)OC(C)C=O 38746368b5ea3e0f5efcfb12845c63f6 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.5 COc1ccc(cn1)O[C@H](C)C=O 329ab5208be4f01a4765002ac059a17d [0,2,0,0,0,0|2,0,0]=4 595 B13R1.5 COc1ccc(nc1)NC(=O)C=O 1bf7242f0413bbd9fa57e0cb4bc18cbe [0,2,0,0,0,0|2,0,0]=4 596 B13R1.5 COc1ccc(nc1)NC(C)C=O 638448a000b3f3630b70923d698c7f34 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.5 COc1ccc(nc1)N[C@H](C)C=O 79225c6f3fc12ac2350d4dac4091c118 [0,2,0,0,0,0|2,0,0]=4 598 B13R1.5 COc1ccc(nc1)OC(C)C=O 05616a2d1efe1ad0fc6055376cbeff4b [0,2,0,0,0,0|2,0,0]=4 599 B13R1.5 COc1ccc(nc1)O[C@H](C)C=O 1462e547b426d268bbc0f7ca3c1b0de8 [0,2,0,0,0,0|2,0,0]=4 600 B13R1.5 CSc1ccc(cc1)CN(C)C=O e3156c2f43163bcf1520efca53f4ab5e [0,2,0,0,0,0|1,1,0]=4 601 B13R1.5 CSc1ccc(cc1)NC(=O)C=O 94a52460817cafe2a6f065b25f008172 [0,2,0,0,0,0|1,1,0]=4 602 B13R1.5 CSc1ccc(cc1)NC(C)C=O d2edfeaa61bec82e011f32de5a56c490 [0,2,0,0,0,0|1,1,0]=4 603 B13R1.5 CSc1ccc(cc1)N[C@H](C)C=O ea05e3cae7b5cbcd54604af015994fab [0,2,0,0,0,0|1,1,0]=4 604 B13R1.5 CSc1ccc(cc1)OC(C)C=O 1833c4c21dde0e0cc6363591856284d3 [0,2,0,0,0,0|1,1,0]=4 605 B13R1.5 CSc1ccc(cc1)O[C@H](C)C=O 939f53ea61edd9a164674d4e34a68f1b [0,2,0,0,0,0|1,1,0]=4 606 B13R1.35 COc1ccc(cc1I)NC(=O)C da0ace714ced699435f8780b1d8a9450 [0,2,0,0,0,0|1,0,1]=4 607 B13R1.35 COc1ccc(cc1O)NC(=O)C 27db663d7df404e2b29bc609498e05b4 [0,2,0,0,0,0|1,0,1]=4 608 B13R1.36 COc1ccc(cc1)N(C)C(=O)C 5c451366eb01aa010a2709b6ea79b3bc [0,2,0,0,0,0|1,0,1]=4 609 B13R1.142 C#CCc1ccc(cc1)OC(C)C 8f7745f7f417b79ebc65a462cd8c0c30 [0,2,0,0,0,0|0,0,2]=4 610 B13R1.142 C=CCc1ccc(cc1)NC(=O)C 932ef2f05f4b656e3512cab688fb9879 [0,2,0,0,0,0|1,0,0]=3 611 B13R1.142 C=CCc1ccc(cc1)NC(C)C 150a0aef084900ec4673ee087ed2e67b [0,2,0,0,0,0|1,0,0]=3 612 B13R1.142 C=CCc1ccc(cc1)OC(C)C 3a71c55c68ad055ac37b7f8428d0ee4b [0,2,0,0,0,0|0,0,0]=2 613 B13R1.142 CC(=O)Cc1ccc(cc1)OCF 75fc1214a99a678f4166f0b9f700f5f8 [0,2,0,0,0,0|0,0,1]=3 614 B13R1.142 CC(=O)Nc1ccc(cc1)OCF 715a040b12cbfea9597b85337449d8fe [0,2,0,0,0,0|1,0,1]=4 615 B13R1.142 CC(=O)Oc1ccc(cc1)NC=O 0f6f6072577684bbba1317e30b3d0d36 [0,2,0,0,0,0|2,0,0]=4 616 B13R1.142 CC(=O)Oc1ccc(cc1)OCF 88ed36f87e4ffef0ec393abd77b71834 [0,2,0,0,0,0|1,0,1]=4 617 B13R1.142 CC(C)Cc1ccc(cc1)OCF c114182aa7f5220f6361154ae9d4f383 [0,2,0,0,0,0|0,0,2]=4 618 B13R1.142 CC(C)Oc1ccc(cc1)CC#N 7e03789b89a6cef1afba62c576d936c1 [0,2,0,0,0,0|1,0,1]=4 619 B13R1.142 CC(C)Oc1ccc(cc1)CC=O 7a881167b9a5cefb9bc2f1d31711b1eb [0,2,0,0,0,0|1,0,0]=3 620 B13R1.142 CC(C)Oc1ccc(cc1)CCF 7096172ff5af6afdf261ea5a1fa89879 [0,2,0,0,0,0|1,0,1]=4 621 B13R1.142 CC(C)Oc1ccc(cc1)NC=O 870d56a770d2133a3be35423113a25f2 [0,2,0,0,0,0|2,0,0]=4 622 B13R1.142 CCCc1ccc(cc1)OC(C)C 456d070db70f39855797de72245dce56 [0,2,0,0,0,0|0,0,2]=4 623 B13R1.142 CCNc1ccc(cc1)CC(=O)N 2b8a09d391ff29d566f822c5cd9d3bc8 [0,2,0,0,0,0|2,0,0]=4 624 B13R1.142 CCNc1ccc(cc1)CC(=O)O 2cc3a05f04e8b5e750f83d826d47f288 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.142 CCOc1ccc(cc1)CC(=O)C d80e0580aaa0797b2b307176797c60e8 [0,2,0,0,0,0|0,0,1]=3 626 B13R1.142 CCOc1ccc(cc1)CC(=O)N eb659dcc5323b7c328435d8368fef1c1 [0,2,0,0,0,0|1,0,0]=3 627 B13R1.142 CCOc1ccc(cc1)CC(=O)O 3e3f9ad058692ade9bce9ac403466c1d [0,2,0,0,0,0|1,0,0]=3 628 B13R1.142 CCOc1ccc(cc1)CC(C)C 12bb2357add226cea404f6c015341b41 [0,2,0,0,0,0|0,0,2]=4 629 B13R1.142 CCOc1ccc(cc1)CN(C)C 1517776ac60878ebbdebf40e6254e495 [0,2,0,0,0,0|1,0,1]=4 630 B13R1.142 CCOc1ccc(cc1)NC(=O)C ea4e3cc9a585eaba961ba701c8f21158 [0,2,0,0,0,0|1,0,1]=4 631 B13R1.142 CCOc1ccc(cc1)NC(=O)N f904d36d79f59f4e8042184805b17a69 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.142 CCOc1ccc(cc1)NC(=S)N 0bf6e6a1ef28c45f907b0a60f0ae0962 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.142 CCOc1ccc(cc1)OC(=O)C 52c79dd603bbd283f78b093adeb4e062 [0,2,0,0,0,0|1,0,1]=4 634 B13R1.142 CCOc1ccc(cn1)CC(=O)O fb714ed27847999764d0be56c74ed84e [0,2,0,0,0,0|2,0,0]=4 635 B13R1.142 CCOc1ccc(nc1)CC(=O)O 93b553dee4c522a44c79c5e389df2787 [0,2,0,0,0,0|2,0,0]=4 636 B13R1.142 CN(C)Cc1ccc(cc1)OCF 18433ae42a0905d63a23e8dc7dd55a7b [0,2,0,0,0,0|1,0,1]=4 637 B13R1.142 COCc1ccc(cc1)NC(=O)C 465513ec488266f4aa1a92c09f4bab5c [0,2,0,0,0,0|1,0,1]=4 638 B13R1.142 COCc1ccc(cc1)OC(C)C 5e6673597bdea662dc01f24ee4fc10dc [0,2,0,0,0,0|1,0,1]=4 639 B13R1.142 NC(=O)Cc1ccc(cc1)NCF 0b7ab8deee11b958de8d6bed8d4b3a11 [0,2,0,0,0,0|2,0,0]=4 640 B13R1.142 NC(=O)Cc1ccc(cc1)NCO fa357fdf96865eb1828966b88a4108c9 [0,2,0,0,0,0|2,0,0]=4 641 B13R1.142 NC(=O)Cc1ccc(cc1)OCF 454d7470c37e39a17f72633e6c68e8ed [0,2,0,0,0,0|1,0,0]=3 642 B13R1.142 NC(=O)Nc1ccc(cc1)OCF 13d1939bf8cad471a3e78de2a5366f49 [0,2,0,0,0,0|2,0,0]=4 643 B13R1.142 NC(=S)Nc1ccc(cc1)OCF 2c029396789159c0c168646f4d2dc17c [0,2,0,0,0,0|2,0,0]=4 644 B13R1.142 O=C(O)Cc1ccc(cc1)NCF d60fd0028d7ed257ccc9c8d6a051d87c [0,2,0,0,0,0|2,0,0]=4 645 B13R1.142 O=C(O)Cc1ccc(cc1)NCO 938ffa4f29c5f5ea03e8fcfa34f51252 [0,2,0,0,0,0|2,0,0]=4 646 B13R1.142 O=C(O)Cc1ccc(cc1)OCF 7d39c98a593b15cc1517e1ce3c1d0653 [0,2,0,0,0,0|1,0,0]=3 647 B13R1.142 O=C(O)Cc1ccc(cn1)OCF e6a4b4fda041d407e237f0461c6492e6 [0,2,0,0,0,0|2,0,0]=4 648 B13R1.142 O=C(O)Cc1ccc(nc1)OCF be6d70821e5b34c70c68a1dbefba2994 [0,2,0,0,0,0|2,0,0]=4 649 B13R1.142 O=CNc1ccc(cc1)OC(F)F e7ed5030b4b4d1840a8db88251fb39cf [0,2,0,0,0,0|2,0,0]=4 650 B13R1.653 COc1ccc(c(c1)Br)NC(=O)C 96b72a58a5b5497df1a42bfd2ba68a1b [0,2,0,0,0,0|1,0,1]=4 651 B13R1.653 COc1ccc(c(c1)C)NC(=O)C 90b0cacdcf4b06ee2d4df8016971434d [0,2,0,0,0,0|1,0,1]=4 652 B13R1.653 COc1ccc(c(c1)Cl)NC(=O)C 8e281b347dbd1df8119bc78f2a9262e2 [0,2,0,0,0,0|1,0,1]=4 653 B13R1.653 COc1ccc(c(c1)F)NC(=O)C 748bbdd0efb73e4b803ccaac8f688290 [0,2,0,0,0,0|1,0,1]=4 654 B13R1.653 COc1ccc(c(c1)I)NC(=O)C f4fb26487031e5f7602349064b2e5b00 [0,2,0,0,0,0|1,0,1]=4 655 B13R1.653 COc1ccc(c(c1)O)NC(=O)C b85b0dfcba0f6b91fd4f842ed915624e [0,2,0,0,0,0|1,0,1]=4 656 B13R1.653 COc1ccc(c(c1)S)NC(=O)C aed963e0e9c0d47f9b85df51fd70b499 [0,2,0,0,0,0|1,0,1]=4 657 B13R1.39 CCN(C=O)c1ccc(cc1)OC 9f82661be903fe49951d168600e2be9a [0,2,0,0,0,0|2,0,0]=4 658 B13R1.139 C=CC(O)c1ccc(cc1)NC#N b5181365bf948258ff497cd7b38a96a9 [0,2,0,0,0,0|1,0,1]=4 659 B13R1.139 C=CCc1ccc(cc1)N(C)CC 3d44ff8d4301be67039c294fe1287124 [0,2,0,0,0,0|1,0,0]=3 660 B13R1.139 CCC(C)c1ccc(cc1)OCF a7ec2fd5c3b4dfa79e743f12603d6954 [0,2,0,0,0,0|0,0,2]=4 661 B13R1.139 CCN(C)c1ccc(cc1)CC=O 0a297eaeabe34644163889baca984e0c [0,2,0,0,0,0|2,0,0]=4 662 B13R1.139 CCOc1ccc(cc1)C(=O)C=O e402546743b3af85269acdc7a70581f2 [0,2,0,0,0,0|1,0,1]=4 663 B13R1.139 CCOc1ccc(cc1)C(C)OC be3b3531e6fc70e14245bfd3ab41cb9f [0,2,0,0,0,0|1,0,1]=4 664 B13R1.139 CCOc1ccc(cc1)N(C)C=O 7ba67980bd906f5e94fc50677cf9e0e8 [0,2,0,0,0,0|2,0,0]=4 665 B13R1.139 COC(=O)c1ccc(cc1)NC=O a7f77b659cc95a724807a56763ed8c9e [0,2,0,0,0,0|2,0,0]=4 666 B13R1.139 COC(C)c1ccc(cc1)OCF 85d3d5779161ba9367ec507e162402be [0,2,0,0,0,0|1,0,1]=4 667 B13R1.139 O=CC(=O)c1ccc(cc1)OCF 4993072541c46e86f1c3d6cbce41fcab [0,2,0,0,0,0|1,0,1]=4 668 B13R1.452 C#CCN(C)c1ccc(cc1)OC f2a1112b9eaabd79dfad4b9a74d2aa1f [0,2,0,0,0,0|0,0,2]=4 669 B13R1.452 C#Cc1ccc(cc1)N(C)CC=C cca948ef37e73408a2abe9cc2d9f7acb [0,2,0,0,0,0|1,0,1]=4 670 B13R1.452 C=CCN(C)c1ccc(cc1)C#N 93deaf05d2ead280ff67ab1ef845f437 [0,2,0,0,0,0|2,0,0]=4 671 B13R1.452 C=CCN(C)c1ccc(cc1)C=O ccc23bd724df05e1979da936a351bcd3 [0,2,0,0,0,0|2,0,0]=4 672 B13R1.452 C=CCN(C)c1ccc(cc1)CC 70586c33303031e008a01a7501775b8a [0,2,0,0,0,0|1,0,0]=3 673 B13R1.452 C=CCN(C)c1ccc(cc1)CF ac18cb0d44dc2690b4cc2add9f80ee6d [0,2,0,0,0,0|2,0,0]=4 674 B13R1.452 C=CCN(C)c1ccc(cc1)CO 75e424a8dd2c6e429ff07b564c4c3148 [0,2,0,0,0,0|2,0,0]=4 675 B13R1.452 C=CCN(C)c1ccc(cc1)CS bc83de83ff1e50bf439edbc6fe3c4407 [0,2,0,0,0,0|2,0,0]=4 676 B13R1.452 C=CCN(C)c1ccc(cc1)NO c3d8d6ecdd4c8f503193203a387e9fa3 [0,2,0,0,0,0|2,0,0]=4 677 B13R1.452 C=CCN(C)c1ccc(cc1)OC 4c66033053ab824110c5d14da2bcc167 [0,2,0,0,0,0|0,0,0]=2 678 B13R1.452 C=CCN(C)c1ccc(cc1)SC 5a5fadcb01646512bb993bb0d44d296c [0,2,0,0,0,0|0,1,0]=3 679 B13R1.452 C=CCN(C)c1ccc(cn1)CC e180fc2da81646c08a2a55b55106dcb6 [0,2,0,0,0,0|2,0,0]=4 680 B13R1.452 C=CCN(C)c1ccc(cn1)OC 0001438fc9d633844709177be68ad706 [0,2,0,0,0,0|1,0,0]=3 681 B13R1.452 C=CCN(C)c1ccc(nc1)CC e2ad1cfffc85b71b5ad52873786da2f2 [0,2,0,0,0,0|2,0,0]=4 682 B13R1.452 C=CCN(C)c1ccc(nc1)OC 889e95880de9377b25c744a61f4fca6e [0,2,0,0,0,0|1,0,0]=3 683 B13R1.452 C=CCN(C)c1ccc(nc1)SC 936fa0eac0aac99d8b94a2808e841547 [0,2,0,0,0,0|1,1,0]=4 684 B13R1.452 C=CCN(C)c1ccc(nn1)OC 9acd0e408bf4b8f61cbb14e186224297 [0,2,0,0,0,0|2,0,0]=4 685 B13R1.452 C=CCN(C)c1cnc(cn1)OC fd6c922dbf6d99a8c60caa33b7293085 [0,2,0,0,0,0|2,0,0]=4 686 B13R1.452 C=CCN(C)c1ncc(cn1)OC 51c4ffd45dffbccee707fdf257b5cfd5 [0,2,0,0,0,0|2,0,0]=4 687 B13R1.452 CCCN(C)c1ccc(cc1)OC f037e09098e2b3a26a15cba395700a6b [0,2,0,0,0,0|0,0,2]=4 688 B13R1.452 CCNC(C)c1ccc(cc1)OC 9a4ec247918389e85c4c9d31cf557c32 [0,2,0,0,0,0|0,0,2]=4 689 B13R1.452 CCN[C@@H](C)c1ccc(cc1)OC be8a9016265958a935be29c84a12ecf7 [0,2,0,0,0,0|0,0,2]=4 690 B13R1.452 CCN[C@H](C)c1ccc(cc1)OC d91de09678b239dd7f2635b1c33bed24 [0,2,0,0,0,0|0,0,2]=4 691 B13R1.452 CCOC(C)c1ccc(cc1)OC 6815227232f6d62e2adb1f96631f2865 [0,2,0,0,0,0|0,0,2]=4 692 B13R1.452 CCO[C@@H](C)c1ccc(cc1)OC bdcca3470d37aa2e7256815bdedf6a44 [0,2,0,0,0,0|0,0,2]=4 693 B13R1.452 CCO[C@H](C)c1ccc(cc1)OC b3e6053607f0fd5e6a1b84492611236d [0,2,0,0,0,0|0,0,2]=4 694 B13R1.452 CCc1ccc(cc1)C(C)NC=O 6f43760ff47ab981d9517250eec52453 [0,2,0,0,0,0|2,0,0]=4 695 B13R1.452 CCc1ccc(cc1)[C@@H](C)NC=O 429b064e25552fe5b5101e7fb9a09a15 [0,2,0,0,0,0|2,0,0]=4 696 B13R1.452 CCc1ccc(cc1)[C@H](C)NC=O cf3d0bdb13bd552a8f165d9866e153f8 [0,2,0,0,0,0|2,0,0]=4 697 B13R1.452 COCN(C)c1ccc(cc1)OC 8ce0cb53b0c9bf71013e23b107379c16 [0,2,0,0,0,0|1,0,1]=4 698 B13R1.452 COc1ccc(cc1)C(C)NC=O c8ae62a39aa70763e81012ece956898f [0,2,0,0,0,0|1,0,0]=3 699 B13R1.452 COc1ccc(cc1)C(C)NCF a83bc4c9cad83ac805d78fe341a544ab [0,2,0,0,0,0|1,0,1]=4 700 B13R1.452 COc1ccc(cc1)C(C)NCO 7a5e094fc120ce1fcd472d52098a4776 [0,2,0,0,0,0|1,0,1]=4 701 B13R1.452 COc1ccc(cc1)C(C)OCF 74ca4a65b1d0d544c1b93e708ef79eac [0,2,0,0,0,0|1,0,1]=4 702 B13R1.452 COc1ccc(cc1)N(C)CC#N 7d522924dc692bc4aef7e15582f719ff [0,2,0,0,0,0|1,0,1]=4 703 B13R1.452 COc1ccc(cc1)N(C)CC=O 72e6bb368849c9cfb445d00305454753 [0,2,0,0,0,0|1,0,0]=3 704 B13R1.452 COc1ccc(cc1)N(C)CCF a5937622477470d2c98fd4b3d04b2119 [0,2,0,0,0,0|1,0,1]=4 705 B13R1.452 COc1ccc(cc1)N(C)CCO 437c2c205354fd2e86c742c8ab1d2ca0 [0,2,0,0,0,0|1,0,1]=4 706 B13R1.452 COc1ccc(cc1)N(C)CCS bb211f80634e0344c53d6f227b870242 [0,2,0,0,0,0|1,0,1]=4 707 B13R1.452 COc1ccc(cc1)N(C)CSC 5522879bd503793608226619d09d6b93 [0,2,0,0,0,0|1,0,1]=4 708 B13R1.452 COc1ccc(cc1)[C@@H](C)NC=O 9162d72aa686cb662bd77f11a9e8e3e2 [0,2,0,0,0,0|1,0,0]=3 709 B13R1.452 COc1ccc(cc1)[C@@H](C)NCF 975879873644c7d0d63cc1e21504da10 [0,2,0,0,0,0|1,0,1]=4 710 B13R1.452 COc1ccc(cc1)[C@@H](C)NCO db38d244feb4988238d6515c7c61fd64 [0,2,0,0,0,0|1,0,1]=4 711 B13R1.452 COc1ccc(cc1)[C@@H](C)OCF 1f413372265094a34268fb31188c2b61 [0,2,0,0,0,0|1,0,1]=4 712 B13R1.452 COc1ccc(cc1)[C@H](C)NC=O 99b3cd220661aa1240085f91f9600f56 [0,2,0,0,0,0|1,0,0]=3 713 B13R1.452 COc1ccc(cc1)[C@H](C)NCF 5a1f1c0977912134d8ece0fa6fdc1f15 [0,2,0,0,0,0|1,0,1]=4 714 B13R1.452 COc1ccc(cc1)[C@H](C)NCO 18a0494f682db88de11f449e4f27de19 [0,2,0,0,0,0|1,0,1]=4 715 B13R1.452 COc1ccc(cc1)[C@H](C)OCF 2236302ecd398ed665aa735ad72bd989 [0,2,0,0,0,0|1,0,1]=4 716 B13R1.452 COc1ccc(cn1)C(C)NC=O 8bdc9e14b69509e216cf3e8740ef41da [0,2,0,0,0,0|2,0,0]=4 717 B13R1.452 COc1ccc(cn1)N(C)CC=O d312a9a34e43fa471b3b0b652c8cf8f3 [0,2,0,0,0,0|2,0,0]=4 718 B13R1.452 COc1ccc(cn1)[C@@H](C)NC=O 99c492d9ff54a339bdc3e851709316af [0,2,0,0,0,0|2,0,0]=4 719 B13R1.452 COc1ccc(cn1)[C@H](C)NC=O 8078782f6a24dfd5db592cb8d052db20 [0,2,0,0,0,0|2,0,0]=4 720 B13R1.452 COc1ccc(nc1)N(C)CC=O ffb01b16ae54261042b23e4f64199955 [0,2,0,0,0,0|2,0,0]=4 721 B13R1.452 CSc1ccc(cc1)N(C)CC=O e9adb9d393e4dab561dca3b1e03189c5 [0,2,0,0,0,0|1,1,0]=4 722 B13R1.452 CSc1ccc(cc1)[C@@H](C)NC=O 434eb014ed1cb0e6ed4273ab6df72870 [0,2,0,0,0,0|1,1,0]=4 723 B13R1.452 CSc1ccc(cc1)[C@H](C)NC=O dd45daef5f5abd2ef6a25e8dd63ae9fc [0,2,0,0,0,0|1,1,0]=4 724 B13R1.3088 COc1ccc(cc1F)N(C)C=O 78a3d856319a87172b1f32adceae277b [0,2,0,0,0,0|2,0,0]=4 725 B13R1.3 C#Cc1ccc(cc1)NCC(=C)Br 8d63f0b078ef6e6b90738f86ee20ef0d [0,2,0,0,0,0|1,0,1]=4 726 B13R1.3 C#Cc1ccc(cc1)NCC(=C)C 9b99ab2d34e99ddebab60faec095bd95 [0,2,0,0,0,0|1,0,1]=4 727 B13R1.3 C#Cc1ccc(cc1)NCC(=C)Cl 6699cd5254a522f2f4422fd0733ecb96 [0,2,0,0,0,0|1,0,1]=4 728 B13R1.3 C#Cc1ccc(cc1)NCC(=C)F 20d0a503a27102386f3a06ee58f5e884 [0,2,0,0,0,0|1,0,1]=4 729 B13R1.3 C#Cc1ccc(cc1)OCC(=C)Br 9e5feb7ce5dc2b82a0c9fe0ef9595d3a [0,2,0,0,0,0|1,0,1]=4 730 B13R1.3 C#Cc1ccc(cc1)OCC(=C)C bcd88046be1bd4e33ed234f3e81e6aa1 [0,2,0,0,0,0|1,0,1]=4 731 B13R1.3 C#Cc1ccc(cc1)OCC(=C)Cl c99cab1d18549da5057f54ebf13ca2ee [0,2,0,0,0,0|1,0,1]=4 732 B13R1.3 C#Cc1ccc(cc1)OCC(=C)F 7fa1908bffc6696d137b0daef490916e [0,2,0,0,0,0|1,0,1]=4 733 B13R1.3 C=C(Br)CNc1ccc(cc1)C#N ed8aade22ed28a83b736de0f04e2daf2 [0,2,0,0,0,0|2,0,0]=4 734 B13R1.3 C=C(Br)CNc1ccc(cc1)C=O ce62023a751bbba618fb4d67b84079a2 [0,2,0,0,0,0|2,0,0]=4 735 B13R1.3 C=C(Br)CNc1ccc(cc1)CC b449e989dcde663cdd866d5d110270bc [0,2,0,0,0,0|1,0,0]=3 736 B13R1.3 C=C(Br)CNc1ccc(cc1)CF cd72c8c499a7737fe4aa444f870251e3 [0,2,0,0,0,0|2,0,0]=4 737 B13R1.3 C=C(Br)CNc1ccc(cc1)CO 41ef28c3c52ef7e7f06215bf8870f055 [0,2,0,0,0,0|2,0,0]=4 738 B13R1.3 C=C(Br)CNc1ccc(cc1)CS 4f117105736d79655cac3b0cb4939ff6 [0,2,0,0,0,0|2,0,0]=4 739 B13R1.3 C=C(Br)CNc1ccc(cc1)NO 9b18ae8fc153b9c7a096cc5067fec3f9 [0,2,0,0,0,0|2,0,0]=4 740 B13R1.3 C=C(Br)CNc1ccc(cc1)OC b65c427f04c45a43e224ebcff199426b [0,2,0,0,0,0|0,0,0]=2 741 B13R1.3 C=C(Br)CNc1ccc(cc1)SC d3c5a798b4b384577062c3f0d6f1773d [0,2,0,0,0,0|0,1,0]=3 742 B13R1.3 C=C(Br)CNc1ccc(cn1)CC 002b9bf71d43f8c5da7967221d31c8f3 [0,2,0,0,0,0|2,0,0]=4 743 B13R1.3 C=C(Br)CNc1ccc(cn1)OC f0247a8a93230029a4656b052c1ec402 [0,2,0,0,0,0|1,0,0]=3 744 B13R1.3 C=C(Br)CNc1ccc(cn1)SC 33bb75fcdebb933270f5daabcaa54abb [0,2,0,0,0,0|1,1,0]=4 745 B13R1.3 C=C(Br)CNc1ccc(nc1)CC c76498c22605c7892e5cf3f687026490 [0,2,0,0,0,0|2,0,0]=4 746 B13R1.3 C=C(Br)CNc1ccc(nc1)OC 31133907e2ff6261e8498c586d0737e5 [0,2,0,0,0,0|1,0,0]=3 747 B13R1.3 C=C(Br)CNc1ccc(nc1)SC f792642265be80b8ca918ccbd4caeeb4 [0,2,0,0,0,0|1,1,0]=4 748 B13R1.3 C=C(Br)CNc1ccc(nn1)OC e5ba918b4c9ac83ec8bf51780e62efc5 [0,2,0,0,0,0|2,0,0]=4 749 B13R1.3 C=C(Br)CNc1cnc(cn1)OC 7ac50b2808a5ad36903adad750c77b04 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.3 C=C(Br)CNc1cnc(nc1)OC 698294949821a627f8281309452b03b2 [0,2,0,0,0,0|2,0,0]=4 751 B13R1.3 C=C(Br)CNc1ncc(cn1)OC f9a748e1cec58902066e87ce4193d9c7 [0,2,0,0,0,0|2,0,0]=4 752 B13R1.3 C=C(Br)COc1ccc(cc1)C#N 3b5ee18c2b10f145497306d27218f94d [0,2,0,0,0,0|2,0,0]=4 753 B13R1.3 C=C(Br)COc1ccc(cc1)C=O 5d1573d940111f9eae673ec1d118f2f8 [0,2,0,0,0,0|2,0,0]=4 754 B13R1.3 C=C(Br)COc1ccc(cc1)CC d6415386bdde3337f020fa1591688838 [0,2,0,0,0,0|1,0,0]=3 755 B13R1.3 C=C(Br)COc1ccc(cc1)N=O 382e5765aed84d4f3873b4c86b2c02bd [0,2,0,0,0,0|2,0,0]=4 756 B13R1.3 C=C(Br)COc1ccc(cc1)OC f7a639c4697a07261de4e077011628a9 [0,2,0,0,0,0|0,0,0]=2 757 B13R1.3 C=C(Br)COc1ccc(cc1)SC 864be514d47f74d5fb2863a922eb1bcd [0,2,0,0,0,0|0,1,0]=3 758 B13R1.3 C=C(Br)COc1ccc(cn1)CC 2f1044b192e4b3685260d974ccd9d540 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.3 C=C(Br)COc1ccc(cn1)OC 51eb61fab2ca60ed7dddf1db0d3f76c1 [0,2,0,0,0,0|1,0,0]=3 760 B13R1.3 C=C(Br)COc1ccc(nc1)OC f4b86d40ef123657334d28817cda4a26 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.3 C=C(Br)COc1ccc(nc1)SC c6df8d2036d23c2ecd37a45cac8d9ed0 [0,2,0,0,0,0|1,1,0]=4 762 B13R1.3 C=C(Br)COc1cnc(nc1)OC 1d759c3b6e7f0dfea38226d11b6d4dd0 [0,2,0,0,0,0|2,0,0]=4 763 B13R1.3 C=C(C)CNc1ccc(cc1)C#N 31137bf6bb8b28e0c1807daf2dc0c27c [0,2,0,0,0,0|2,0,0]=4 764 B13R1.3 C=C(C)CNc1ccc(cc1)C=O a22b7de44af4fa5bcf54e2061dd37a1e [0,2,0,0,0,0|2,0,0]=4 765 B13R1.3 C=C(C)CNc1ccc(cc1)CC 9ed206ef301164639c695b1e8ae4db01 [0,2,0,0,0,0|1,0,0]=3 766 B13R1.3 C=C(C)CNc1ccc(cc1)CO be0e8cd10cdce8f0042b39cc284ea513 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.3 C=C(C)CNc1ccc(cc1)NO baa5d999a9c4750d80d259fa65335e97 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.3 C=C(C)CNc1ccc(cc1)OC 278aba3747fd5ec091b71d871bdb75a6 [0,2,0,0,0,0|0,0,0]=2 769 B13R1.3 C=C(C)CNc1ccc(cc1)SC d613628ea8e44bda964bdbd1e71f55a5 [0,2,0,0,0,0|0,1,0]=3 770 B13R1.3 C=C(C)CNc1ccc(cn1)CC dd4a179d2ed05c3347a6cbd78e720b0f [0,2,0,0,0,0|2,0,0]=4 771 B13R1.3 C=C(C)CNc1ccc(cn1)OC a77d56cbb5afad5172887d14d9bc63f9 [0,2,0,0,0,0|1,0,0]=3 772 B13R1.3 C=C(C)CNc1ccc(cn1)SC 9a130a3a4ad71dab7f2c17edd15332cf [0,2,0,0,0,0|1,1,0]=4 773 B13R1.3 C=C(C)CNc1ccc(nc1)CC c042df1b06810c5436849e28c0d4b36d [0,2,0,0,0,0|2,0,0]=4 774 B13R1.3 C=C(C)CNc1ccc(nc1)OC e9cbcb45750f5cc0d43093758c8a95f0 [0,2,0,0,0,0|1,0,0]=3 775 B13R1.3 C=C(C)CNc1ccc(nc1)SC 2ba7709ef056f22f9076c2ec7143a422 [0,2,0,0,0,0|1,1,0]=4 776 B13R1.3 C=C(C)CNc1ccc(nn1)OC 75ba3bc309a7bd66a144f5c45d6210ab [0,2,0,0,0,0|2,0,0]=4 777 B13R1.3 C=C(C)CNc1cnc(cn1)OC 0d6f7860362efd00d405b42893e697c0 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.3 C=C(C)CNc1cnc(nc1)OC f9802fc1dac0c1f80851424456517d57 [0,2,0,0,0,0|2,0,0]=4 779 B13R1.3 C=C(C)CNc1ncc(cn1)OC 82162cfdfdb196dcd4ce3f9e5332601a [0,2,0,0,0,0|2,0,0]=4 780 B13R1.3 C=C(C)COc1ccc(cc1)C#N f85cf42a23a69dfaa39943babb9dd1fb [0,2,0,0,0,0|2,0,0]=4 781 B13R1.3 C=C(C)COc1ccc(cc1)C=O a8f77e8e55f752fa87059865bb9e4fde [0,2,0,0,0,0|2,0,0]=4 782 B13R1.3 C=C(C)COc1ccc(cc1)CC ccb6aab4dd6e42622e4a5b17069608c9 [0,2,0,0,0,0|1,0,0]=3 783 B13R1.3 C=C(C)COc1ccc(cc1)N=O 72dc36e02832f97b961b0cc05fd2e0e3 [0,2,0,0,0,0|2,0,0]=4 784 B13R1.3 C=C(C)COc1ccc(cc1)OC 2671c7295ec5c8c545177d5fc6484439 [0,2,0,0,0,0|0,0,0]=2 785 B13R1.3 C=C(C)COc1ccc(cc1)SC 61e052b8a7d25353b223d1a50c2bd31b [0,2,0,0,0,0|0,1,0]=3 786 B13R1.3 C=C(C)COc1ccc(cn1)CC 99eb254775e67089ac739736df7038c1 [0,2,0,0,0,0|2,0,0]=4 787 B13R1.3 C=C(C)COc1ccc(cn1)OC ae6260ebb9e772063ece0e296cb48dc6 [0,2,0,0,0,0|1,0,0]=3 788 B13R1.3 C=C(C)COc1ccc(nc1)OC db080f3852ad8b8ebce20eb8a58e073d [0,2,0,0,0,0|1,0,0]=3 789 B13R1.3 C=C(C)COc1ccc(nc1)SC 3f2a4214b86533749f247691f77b463b [0,2,0,0,0,0|1,1,0]=4 790 B13R1.3 C=C(C)COc1cnc(nc1)OC fa43db30efbd4a2ce366993f50292a8b [0,2,0,0,0,0|2,0,0]=4 791 B13R1.3 C=C(Cl)CNc1ccc(cc1)C#N fe3d7dca83babb1b80da0af5a7523436 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.3 C=C(Cl)CNc1ccc(cc1)C=O 7879203e8d4d5adab5ec636762a7ff4e [0,2,0,0,0,0|2,0,0]=4 793 B13R1.3 C=C(Cl)CNc1ccc(cc1)CO 5673e869ba5c53f0977d8c98ce09c6ff [0,2,0,0,0,0|2,0,0]=4 794 B13R1.3 C=C(Cl)CNc1ccc(cc1)OC 3cacd7ca9f0387def03636cdf7f111d8 [0,2,0,0,0,0|0,0,0]=2 795 B13R1.3 C=C(Cl)CNc1ccc(cc1)SC 6cdf38a77c52978b3cbfca14612e2235 [0,2,0,0,0,0|0,1,0]=3 796 B13R1.3 C=C(Cl)CNc1ccc(cn1)CC 5ab823022830dd88b616f3d38d545689 [0,2,0,0,0,0|2,0,0]=4 797 B13R1.3 C=C(Cl)CNc1ccc(cn1)OC fdefdff894656f0aaaf0e09884c78f3a [0,2,0,0,0,0|1,0,0]=3 798 B13R1.3 C=C(Cl)CNc1ccc(cn1)SC bd4fa8def6530d9af82495a3068d7012 [0,2,0,0,0,0|1,1,0]=4 799 B13R1.3 C=C(Cl)CNc1ccc(nc1)OC c3691615e23b6c502f6b513b19c9ff20 [0,2,0,0,0,0|1,0,0]=3 800 B13R1.3 C=C(Cl)CNc1ccc(nc1)SC 987dadfa46122e717e5f405bdc46694f [0,2,0,0,0,0|1,1,0]=4 801 B13R1.3 C=C(Cl)CNc1ccc(nn1)OC 574fd15856b825232de3a85a28a9bbd2 [0,2,0,0,0,0|2,0,0]=4 802 B13R1.3 C=C(Cl)CNc1cnc(cn1)OC f990f69abe0d14247a49bdffdb01b1f5 [0,2,0,0,0,0|2,0,0]=4 803 B13R1.3 C=C(Cl)CNc1cnc(nc1)OC eb66c01f8351d999891fb2baf39a7ca1 [0,2,0,0,0,0|2,0,0]=4 804 B13R1.3 C=C(Cl)CNc1ncc(cn1)OC 9df6aefed7208992f4ee2b7287fa7e70 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.3 C=C(Cl)COc1ccc(cc1)C#N f8eefd7478d90cbb3bd88f4975d7e62e [0,2,0,0,0,0|2,0,0]=4 806 B13R1.3 C=C(Cl)COc1ccc(cc1)C=O 9220aeb0ad1f427744bd781f95caf67c [0,2,0,0,0,0|2,0,0]=4 807 B13R1.3 C=C(Cl)COc1ccc(cc1)CC 39335ddf0d46fad4dcd5fb24cb4c0b99 [0,2,0,0,0,0|1,0,0]=3 808 B13R1.3 C=C(Cl)COc1ccc(cc1)N=O 49ab371fec45813fb96406a5ec7463db [0,2,0,0,0,0|2,0,0]=4 809 B13R1.3 C=C(Cl)COc1ccc(cc1)OC 7e9718bd1cc17832a5b5eea9648a683e [0,2,0,0,0,0|0,0,0]=2 810 B13R1.3 C=C(Cl)COc1ccc(cc1)SC fb89dd7d65a7f3a14bf45f7224aed2c1 [0,2,0,0,0,0|0,1,0]=3 811 B13R1.3 C=C(Cl)COc1ccc(cn1)CC 905bd69c8d183ce04311bd576eb16cd7 [0,2,0,0,0,0|2,0,0]=4 812 B13R1.3 C=C(Cl)COc1ccc(cn1)OC 578d0ae4e1d96789c4677f7c45c40621 [0,2,0,0,0,0|1,0,0]=3 813 B13R1.3 C=C(Cl)COc1ccc(nc1)OC bd5c92819081dec2d287dce400619b2b [0,2,0,0,0,0|1,0,0]=3 814 B13R1.3 C=C(Cl)COc1ccc(nc1)SC eac080d3647d8283535146d5d4ed5876 [0,2,0,0,0,0|1,1,0]=4 815 B13R1.3 C=C(Cl)COc1cnc(nc1)OC a6a661cd02d9d719e68b8e71db175b7b [0,2,0,0,0,0|2,0,0]=4 816 B13R1.3 C=C(F)CNc1ccc(cc1)C#N 0aa6d97338a1db0602d2d23d69cd1773 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.3 C=C(F)CNc1ccc(cc1)C=O cbd08d1c3b9ffd768ba22438308b8427 [0,2,0,0,0,0|2,0,0]=4 818 B13R1.3 C=C(F)CNc1ccc(cc1)CC f55950ca701a77ae394560cefe2da2d7 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.3 C=C(F)CNc1ccc(cc1)CO 88307e730b7a2e8c8542b95192b5d6d1 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.3 C=C(F)CNc1ccc(cc1)OC f8e774b4a1ecfcb343afa233b58ea7b7 [0,2,0,0,0,0|0,0,0]=2 821 B13R1.3 C=C(F)CNc1ccc(cc1)SC 27ba8ce1a6bb11f3a796059497a1c751 [0,2,0,0,0,0|0,1,0]=3 822 B13R1.3 C=C(F)CNc1ccc(cn1)CC d929890307274cd880f8c85348fe3aad [0,2,0,0,0,0|2,0,0]=4 823 B13R1.3 C=C(F)CNc1ccc(cn1)OC 320a04b06079e61375137942b756bb78 [0,2,0,0,0,0|1,0,0]=3 824 B13R1.3 C=C(F)CNc1ccc(nc1)OC 2419c7ee0af6afecab44feae8c44dced [0,2,0,0,0,0|1,0,0]=3 825 B13R1.3 C=C(F)CNc1ccc(nc1)SC 066eab8edb7bba73fd9a3d7990bd47e7 [0,2,0,0,0,0|1,1,0]=4 826 B13R1.3 C=C(F)CNc1ccc(nn1)OC 8d4d92468d3f6287ef612e0c1f4580f5 [0,2,0,0,0,0|2,0,0]=4 827 B13R1.3 C=C(F)CNc1cnc(cn1)OC 4bd3d574e58044d94a51ef9f2eb3869c [0,2,0,0,0,0|2,0,0]=4 828 B13R1.3 C=C(F)CNc1cnc(nc1)OC 748984a454e579cb6ab616982dcc6d9f [0,2,0,0,0,0|2,0,0]=4 829 B13R1.3 C=C(F)CNc1ncc(cn1)OC 373b7732f716c3597d4392a9c1ee6fab [0,2,0,0,0,0|2,0,0]=4 830 B13R1.3 C=C(F)COc1ccc(cc1)C#N ab015e7a60e07b40b0a2980f490c87fd [0,2,0,0,0,0|2,0,0]=4 831 B13R1.3 C=C(F)COc1ccc(cc1)C=O 659f746fbcbff081f35f57758de0c0f2 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.3 C=C(F)COc1ccc(cc1)CC 5d1270ee385352e8504a6e69c8f9cc13 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.3 C=C(F)COc1ccc(cc1)N=O a3c862266c4ca27664b5ef0643fa51de [0,2,0,0,0,0|2,0,0]=4 834 B13R1.3 C=C(F)COc1ccc(cc1)OC 9173617ebd6d67da582aeb94c9350354 [0,2,0,0,0,0|0,0,0]=2 835 B13R1.3 C=C(F)COc1ccc(cc1)SC 63591b9ceef984ef28c91a1abb0ae640 [0,2,0,0,0,0|0,1,0]=3 836 B13R1.3 C=C(F)COc1ccc(cn1)CC aca5490e0ea54d42d31a786c5fd17932 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.3 C=C(F)COc1ccc(cn1)OC 54bd8491cacde255cb56947502446870 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.3 C=C(F)COc1ccc(nc1)SC 8ac4e06555f03a2cbc0f6077d3d8cda9 [0,2,0,0,0,0|1,1,0]=4 839 B13R1.3 C=C(F)COc1cnc(nc1)OC a35e3c0bec9a778933309793882983fa [0,2,0,0,0,0|2,0,0]=4 840 B13R1.3 C=Cc1ccc(cc1)NCC(=C)Br 31be3775d8f90e5dc8e984a946743021 [0,2,0,0,0,0|1,0,1]=4 841 B13R1.3 C=Cc1ccc(cc1)NCC(=C)C dafe9942f3608315941f554212235ce9 [0,2,0,0,0,0|1,0,1]=4 842 B13R1.3 C=Cc1ccc(cc1)NCC(=C)Cl 305a36b3ffd245415f05992c61bdd7aa [0,2,0,0,0,0|1,0,1]=4 843 B13R1.3 C=Cc1ccc(cc1)NCC(=C)F 4d48c921c493945112f6f88fa7feb527 [0,2,0,0,0,0|1,0,1]=4 844 B13R1.3 C=Cc1ccc(cc1)OCC(=C)Br bbab6101934ae5514cb853a9727e9282 [0,2,0,0,0,0|1,0,1]=4 845 B13R1.3 C=Cc1ccc(cc1)OCC(=C)C 19f234d64821c3cd506578aa141c8950 [0,2,0,0,0,0|1,0,1]=4 846 B13R1.3 C=Cc1ccc(cc1)OCC(=C)Cl f929fc1d026e86b9fc663b0178a6ce76 [0,2,0,0,0,0|1,0,1]=4 847 B13R1.3 C=Cc1ccc(cc1)OCC(=C)F c6c60669eaa23e946c39bf40f5a4c7a5 [0,2,0,0,0,0|1,0,1]=4 848 B13R1.3 CCc1ccc(cc1)CNC(=O)C 0de70501c83fb93029a3c40b9e1e9104 [0,2,0,0,0,0|1,0,1]=4 849 B13R1.3 CCc1ccc(cc1)NCC(=O)C 1a84292d9cbe7823b94b324af7dbbdcd [0,2,0,0,0,0|1,0,1]=4 850 B13R1.3 CCc1ccc(cc1)NCC(=O)N 4abb1d7f126f5f8903c65a21e70c32c9 [0,2,0,0,0,0|2,0,0]=4 851 B13R1.3 CCc1ccc(cc1)NCC(=O)O 324268341898af73b0f4452273f10d8c [0,2,0,0,0,0|2,0,0]=4 852 B13R1.3 CCc1ccc(cc1)OCC(=O)N 2a6f5e13d6ec46ac5f01ecb2507188b5 [0,2,0,0,0,0|2,0,0]=4 853 B13R1.3 CCc1ccc(cc1)OCC(=O)O 8b7ea8b4b4601c63cd7574d7efdf1909 [0,2,0,0,0,0|2,0,0]=4 854 B13R1.3 COc1ccc(cc1)CNC(=O)C 0ae4191e6a57cf908d08bd6b0270fc1f [0,2,0,0,0,0|0,0,1]=3 855 B13R1.3 COc1ccc(cc1)CNC(C)C 3fbab2f6fdf968d7c6962002435840ea [0,2,0,0,0,0|0,0,2]=4 856 B13R1.3 COc1ccc(cc1)COC(C)C 544cb0beac466d1fe5b9a011f927534f [0,2,0,0,0,0|0,0,2]=4 857 B13R1.3 COc1ccc(cc1)NCC(=O)C 2abbd8e10197213a2d1ab0d62a4a5afc [0,2,0,0,0,0|0,0,1]=3 858 B13R1.3 COc1ccc(cc1)NCC(=O)N 243506660824dd70092e9d96311ee4ee [0,2,0,0,0,0|1,0,0]=3 859 B13R1.3 COc1ccc(cc1)NCC(=O)O 58c156ba556e58cf45877ed057561ab5 [0,2,0,0,0,0|1,0,0]=3 860 B13R1.3 COc1ccc(cc1)NCC(C)C 59d476837cb9437d0f607ea9cdf30362 [0,2,0,0,0,0|0,0,2]=4 861 B13R1.3 COc1ccc(cc1)NCC(C)O dce8ae518910c8f314a95ae16fbfd582 [0,2,0,0,0,0|0,0,2]=4 862 B13R1.3 COc1ccc(cc1)NCC(F)F 8daf0b48eff97f291f4388eb392502f6 [0,2,0,0,0,0|1,0,1]=4 863 B13R1.3 COc1ccc(cc1)NCN(C)C a4e423d4246afd846024c8b1071bb922 [0,2,0,0,0,0|1,0,1]=4 864 B13R1.3 COc1ccc(cc1)NC[C@@H](C)O 5e65c1a3c47c608fd9ff63e8a5e61da4 [0,2,0,0,0,0|0,0,2]=4 865 B13R1.3 COc1ccc(cc1)NC[C@H](C)O 72635981a91f27c0fac816f03c0dd769 [0,2,0,0,0,0|0,0,2]=4 866 B13R1.3 COc1ccc(cc1)NC[N+](=O)[O-] 5f3de3f6cc149e0e804f5242eda9b89d [0,2,0,0,0,0|2,0,0]=4 867 B13R1.3 COc1ccc(cc1)OCC(=O)N b940e813c8faef38d4fdb9b4674bde52 [0,2,0,0,0,0|1,0,0]=3 868 B13R1.3 COc1ccc(cc1)OCC(=O)O bc90f75f0c313bf6764049d33e1db235 [0,2,0,0,0,0|1,0,0]=3 869 B13R1.3 COc1ccc(cc1)OCC(C)C 702223f0df1fa37a2ba27c84ba97d5c6 [0,2,0,0,0,0|0,0,2]=4 870 B13R1.3 COc1ccc(cc1)OCC(F)F 265f5ad3253b62a2e852c4960d97a149 [0,2,0,0,0,0|1,0,1]=4 871 B13R1.3 COc1ccc(cc1)OCN(C)C aa4925969b79c22f87c684885517e82c [0,2,0,0,0,0|1,0,1]=4 872 B13R1.3 COc1ccc(cc1)OC[N+](=O)[O-] 352f9366fb388ed2841cfc6e5ba282bc [0,2,0,0,0,0|2,0,0]=4 873 B13R1.3 COc1ccc(cn1)CNC(=O)C 4beaffffb405fbbb2974459ee92cc348 [0,2,0,0,0,0|1,0,1]=4 874 B13R1.3 COc1ccc(cn1)NCC(=O)C e3685957e254ed191d0a0c86e1987264 [0,2,0,0,0,0|1,0,1]=4 875 B13R1.3 COc1ccc(cn1)NCC(=O)N 2b4ad7e6be71c8a7f3d81a8312d16660 [0,2,0,0,0,0|2,0,0]=4 876 B13R1.3 COc1ccc(cn1)NCC(=O)O 690472c8a808f0f9deab8df488ed251e [0,2,0,0,0,0|2,0,0]=4 877 B13R1.3 COc1ccc(cn1)OCC(=O)N 7c253ab003572334bff07ba040382216 [0,2,0,0,0,0|2,0,0]=4 878 B13R1.3 COc1ccc(cn1)OCC(=O)O f29ebbf7db74edaf3a462ab72e9508a6 [0,2,0,0,0,0|2,0,0]=4 879 B13R1.3 COc1ccc(nc1)CNC(=O)C b7b812385f1be459c9374618b89602bd [0,2,0,0,0,0|1,0,1]=4 880 B13R1.3 COc1ccc(nc1)NCC(=O)C bb845bc853bca50314471ccbb952b341 [0,2,0,0,0,0|1,0,1]=4 881 B13R1.3 COc1ccc(nc1)NCC(=O)N d83475acf52a5d1d82ce1adeedfaaba2 [0,2,0,0,0,0|2,0,0]=4 882 B13R1.3 COc1ccc(nc1)NCC(=O)O 53a6bece814083c722f0108f2015e0e5 [0,2,0,0,0,0|2,0,0]=4 883 B13R1.3 COc1ccc(nc1)OCC(=O)N 01cbc2736160e9f5c3b9f027f98f0533 [0,2,0,0,0,0|2,0,0]=4 884 B13R1.3 COc1ccc(nc1)OCC(=O)O 8c3c969dfa406315cdff64d809275bb2 [0,2,0,0,0,0|2,0,0]=4 885 B13R1.3 CSc1ccc(cc1)CNC(=O)C 1379b8b252ee6830669f69ec5b24d560 [0,2,0,0,0,0|0,1,1]=4 886 B13R1.3 CSc1ccc(cc1)NCC(=O)C 84e6d9673d665b52c2412e178bd9d3a6 [0,2,0,0,0,0|0,1,1]=4 887 B13R1.3 CSc1ccc(cc1)NCC(=O)N e7b3dd958f85d932fd96db44fdff69d0 [0,2,0,0,0,0|1,1,0]=4 888 B13R1.3 CSc1ccc(cc1)NCC(=O)O 8d7afec268b1cfa3c802cf76316a0ed4 [0,2,0,0,0,0|1,1,0]=4 889 B13R1.3 CSc1ccc(cc1)OCC(=O)N 8ec9c569ac91fc5ee4162c7fb838b8ae [0,2,0,0,0,0|1,1,0]=4 890 B13R1.3 CSc1ccc(cc1)OCC(=O)O 8b28b18c4cba68ae6973266eb53d87e8 [0,2,0,0,0,0|1,1,0]=4 891 B13R1.74 C=C(C)c1ccc(cc1)OCC=O 30e2945ff8be6ac394d4f2fadbf09cee [0,2,0,0,0,0|2,0,0]=4 892 B13R1.74 C=CCNc1ccc(cc1)C(=O)C 786c58a768661ad0442dbb398a0bbf6e [0,2,0,0,0,0|1,0,0]=3 893 B13R1.74 C=CCNc1ccc(cc1)C(=O)N cd28a125319d0c0e6467fcb3508de40c [0,2,0,0,0,0|2,0,0]=4 894 B13R1.74 C=CCNc1ccc(cc1)C(=O)O 4444d141526e87f45a80cbe1338e28a7 [0,2,0,0,0,0|2,0,0]=4 895 B13R1.74 C=CCNc1ccc(cc1)C(=S)N f10140b8b5d046ea3c82756b4e028f55 [0,2,0,0,0,0|2,0,0]=4 896 B13R1.74 C=CCNc1ccc(cc1)C(C)C bcfd8a722a5d459a83478a868296b71e [0,2,0,0,0,0|1,0,0]=3 897 B13R1.74 C=CCNc1ccc(cc1)C(C)O e1b32236f8a154a229f1d1b3033399ef [0,2,0,0,0,0|1,0,0]=3 898 B13R1.74 C=CCNc1ccc(cc1)N(C)C 33d709b9aca8131a8423e33b3520c6e5 [0,2,0,0,0,0|1,0,0]=3 899 B13R1.74 C=CCNc1ccc(cc1)S(=O)C a4aac0e07a47cf3bb1fefaf78f2cccd0 [0,2,0,0,0,0|0,1,0]=3 900 B13R1.74 C=CCNc1ccc(cc1)[N+](=O)[O-] b89c1106cd4bc27c1595793cc176f255 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.74 C=CCNc1ccc(cn1)C(=O)C 98cd63bad09904979149b6b990f998d1 [0,2,0,0,0,0|2,0,0]=4 902 B13R1.74 C=CCNc1ccc(cn1)C(C)C a0883bdafac7d6f30bd91d3d51d6c823 [0,2,0,0,0,0|2,0,0]=4 903 B13R1.74 C=CCNc1ccc(cn1)N(C)C 1252434089e01fcb9b814e187b86bd54 [0,2,0,0,0,0|2,0,0]=4 904 B13R1.74 C=CCNc1ccc(nc1)C(=O)C 3d5482a4e2373e15dc280569c5045ac3 [0,2,0,0,0,0|2,0,0]=4 905 B13R1.74 C=CCNc1ccc(nc1)C(C)C 13c0b69269570c11c8f1a48eeb20c470 [0,2,0,0,0,0|2,0,0]=4 906 B13R1.74 C=CCNc1ccc(nc1)N(C)C 5c9c063308d92ce4f383d93c3cc43aa0 [0,2,0,0,0,0|2,0,0]=4 907 B13R1.74 C=CCOc1ccc(cc1)C(=C)C 52e26c76ba8ccc41718690a2236e8e6f [0,2,0,0,0,0|1,0,0]=3 908 B13R1.74 C=CCOc1ccc(cc1)C(=O)C d7c3bd4d4333f1640552b049f4c819eb [0,2,0,0,0,0|1,0,0]=3 909 B13R1.74 C=CCOc1ccc(cc1)C(=O)N d64d761b692408dda6636a2f1451abc6 [0,2,0,0,0,0|2,0,0]=4 910 B13R1.74 C=CCOc1ccc(cc1)C(=O)O acfba42069c811f73a7624e62352d590 [0,2,0,0,0,0|2,0,0]=4 911 B13R1.74 C=CCOc1ccc(cc1)C(=S)N f5bcd671dfb3b1838a0be6583a0bd52c [0,2,0,0,0,0|2,0,0]=4 912 B13R1.74 C=CCOc1ccc(cc1)C(C)C 2c60f5d3bc07e82e0e0ead4aced4434d [0,2,0,0,0,0|1,0,0]=3 913 B13R1.74 C=CCOc1ccc(cc1)N(C)C bce20bede04faf4727eeae6ca1b82159 [0,2,0,0,0,0|1,0,0]=3 914 B13R1.74 C=CCOc1ccc(cc1)S(=O)C 89ff8539cc722cc0cabcb4f24798b191 [0,2,0,0,0,0|0,1,0]=3 915 B13R1.74 C=CCOc1ccc(cc1)[N+](=O)[O-] 981345b0a4450fa30e98f432f352b619 [0,2,0,0,0,0|2,0,0]=4 916 B13R1.74 C=CCOc1ccc(cn1)C(=O)C 74debfd94d528e578321ec79ae5151b5 [0,2,0,0,0,0|2,0,0]=4 917 B13R1.74 C=CCOc1ccc(nc1)C(=O)C cc4d0948a19390a4f7c6cffb3160d7ae [0,2,0,0,0,0|2,0,0]=4 918 B13R1.74 C=CCOc1ccc(nc1)C(C)C 327fee9b5824bfdad9dd5f90552f52c1 [0,2,0,0,0,0|2,0,0]=4 919 B13R1.74 C=CCOc1ccc(nc1)N(C)C b004d15d7f76578ff8f773f09123ea5a [0,2,0,0,0,0|2,0,0]=4 920 B13R1.74 CC(=O)c1ccc(cc1)CNC=O c7386ec86b2cea4bc722542459300f9a [0,2,0,0,0,0|2,0,0]=4 921 B13R1.74 CC(=O)c1ccc(cc1)NCC=O 9a08798a831a85e08adb375f9450ad17 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.74 CC(=O)c1ccc(cc1)OCC=O 64f6c4a4ae4e15adc4f9791f4a0f8c05 [0,2,0,0,0,0|2,0,0]=4 923 B13R1.74 CC(C)c1ccc(cc1)CNC=O 987582e02af15459a896c2c4e306495c [0,2,0,0,0,0|2,0,0]=4 924 B13R1.74 CC(C)c1ccc(cc1)NCC=O cf094a2569ec8198c9db6754aac7c01f [0,2,0,0,0,0|2,0,0]=4 925 B13R1.74 CC(C)c1ccc(cc1)OCC=O 172d1a1860f99d95d72289cf2d49d068 [0,2,0,0,0,0|2,0,0]=4 926 B13R1.74 CC(O)c1ccc(cc1)CNC=O 2bf502724a3edf5c49bca0a499971b1f [0,2,0,0,0,0|2,0,0]=4 927 B13R1.74 CC(O)c1ccc(cc1)NCC=O 14dffcd03f811d251f96d8f537abccc8 [0,2,0,0,0,0|2,0,0]=4 928 B13R1.74 CN(C)c1ccc(cc1)CNC=O a69c34eb52a30a87226cc95f98bd5731 [0,2,0,0,0,0|2,0,0]=4 929 B13R1.74 CN(C)c1ccc(cc1)NCC=O e0f419ad1941d083fe6049f352f83db4 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.74 CN(C)c1ccc(cc1)OCC=O 6932baff564fc8c0fc6e48c0d8bf10f4 [0,2,0,0,0,0|2,0,0]=4 931 B13R1.74 CS(=O)c1ccc(cc1)NCC=O fe2288e1b9fad937b5e3584b568e323a [0,2,0,0,0,0|1,1,0]=4 932 B13R1.74 CS(=O)c1ccc(cc1)OCC=O 98bf10ebab20689235fcd0c68364607a [0,2,0,0,0,0|1,1,0]=4 933 B13R1.75 C#CCNc1ccc(cc1C)OC 437c4291a634453daf5a71910040bb91 [0,2,0,0,0,0|0,0,2]=4 934 B13R1.75 C#CCNc1ccc(cc1Cl)OC 2c8b45f95a5001dcad6ddc0e40d72175 [0,2,0,0,0,0|0,0,2]=4 935 B13R1.75 C#CCNc1ccc(cc1F)OC 028e8140cb2591076c9bb7b678ccfcf1 [0,2,0,0,0,0|0,0,2]=4 936 B13R1.75 C#CCNc1ccc(cc1I)OC d4553d00007d2f9575dee7945273da3c [0,2,0,0,0,0|0,0,2]=4 937 B13R1.75 C#CCNc1ccc(cc1S)OC 8ec1978bcabc75a0b6a1a41dc0d006cd [0,2,0,0,0,0|0,0,2]=4 938 B13R1.75 C#CCOc1ccc(cc1Br)OC a34b31439a24aa2541ceb37ca6c0e99e [0,2,0,0,0,0|0,0,2]=4 939 B13R1.75 C#CCOc1ccc(cc1C)OC bdcf118160462fc9b68947f4d6b46c69 [0,2,0,0,0,0|0,0,2]=4 940 B13R1.75 C#CCOc1ccc(cc1Cl)OC fa5e2b19c05faac4743bca12c698ba4a [0,2,0,0,0,0|0,0,2]=4 941 B13R1.75 C#CCOc1ccc(cc1F)OC e61b5b4d8431005c429ee96b0522f7b5 [0,2,0,0,0,0|0,0,2]=4 942 B13R1.75 C#CCOc1ccc(cc1I)OC 84e4a7d5da23affdebf583a87841a33d [0,2,0,0,0,0|0,0,2]=4 943 B13R1.75 C#Cc1ccc(c(c1)Br)NCC=C ebc11010df3357471433a2d72b5ce6e7 [0,2,0,0,0,0|1,0,1]=4 944 B13R1.75 C#Cc1ccc(c(c1)C)NCC=C 6b583c4780d3b242f09a3b6ff0bc2f9e [0,2,0,0,0,0|1,0,1]=4 945 B13R1.75 C#Cc1ccc(c(c1)Cl)NCC=C 67b9112c1d40ad55a936f07ec6573330 [0,2,0,0,0,0|1,0,1]=4 946 B13R1.75 C#Cc1ccc(c(c1)F)NCC=C 181bd7f5f0da2a676851d71edeb72a42 [0,2,0,0,0,0|1,0,1]=4 947 B13R1.75 C=CCNc1ccc(cc1Br)C#N 938bb9cd383fa2dab68bc5257153c2cc [0,2,0,0,0,0|2,0,0]=4 948 B13R1.75 C=CCNc1ccc(cc1Br)C=O ac082607d93fcc21c6618cb208940920 [0,2,0,0,0,0|2,0,0]=4 949 B13R1.75 C=CCNc1ccc(cc1Br)CC 5a26b607d6bfadf30ec8185dd5b40a9a [0,2,0,0,0,0|1,0,0]=3 950 B13R1.75 C=CCNc1ccc(cc1Br)CO f6af3842e994c29b0d25eb4e7eae0825 [0,2,0,0,0,0|2,0,0]=4 951 B13R1.75 C=CCNc1ccc(cc1Br)OC 57ef9279161f1b8daccd578a9ccb22f6 [0,2,0,0,0,0|0,0,0]=2 952 B13R1.75 C=CCNc1ccc(cc1C)C#N 399ff94f5d8bd42087841d85fc3e08bd [0,2,0,0,0,0|2,0,0]=4 953 B13R1.75 C=CCNc1ccc(cc1C)CC 13fba6a768c4bcc4526174f5e319e3b3 [0,2,0,0,0,0|1,0,0]=3 954 B13R1.75 C=CCNc1ccc(cc1C)CO c04d3904aea8914f4548c6c75960028e [0,2,0,0,0,0|2,0,0]=4 955 B13R1.75 C=CCNc1ccc(cc1C)OC 109869949a1ba7f1b4d30e0e903c56a7 [0,2,0,0,0,0|0,0,0]=2 956 B13R1.75 C=CCNc1ccc(cc1C)SC 07da5b6ed729a112ec447d0d2c08e3ca [0,2,0,0,0,0|0,1,0]=3 957 B13R1.75 C=CCNc1ccc(cc1Cl)C#N f19da2a1467e8a9d854dd0c7b369a38d [0,2,0,0,0,0|2,0,0]=4 958 B13R1.75 C=CCNc1ccc(cc1Cl)CC 3d67a3809dca8045b9c3b6636cb29009 [0,2,0,0,0,0|1,0,0]=3 959 B13R1.75 C=CCNc1ccc(cc1Cl)CO b360dda9041d8a7818e792e949257c35 [0,2,0,0,0,0|2,0,0]=4 960 B13R1.75 C=CCNc1ccc(cc1Cl)OC 2f60c72066d72a512a60a0f5feeeeb97 [0,2,0,0,0,0|0,0,0]=2 961 B13R1.75 C=CCNc1ccc(cc1F)C#N e6bdb4ffc19a1ef3a3ff3cfa35ece1c8 [0,2,0,0,0,0|2,0,0]=4 962 B13R1.75 C=CCNc1ccc(cc1F)CC b10d64abc10469ec1ca9c21dc0c7081c [0,2,0,0,0,0|1,0,0]=3 963 B13R1.75 C=CCNc1ccc(cc1F)CO 3ef21727752571790fe3bd9af288afd3 [0,2,0,0,0,0|2,0,0]=4 964 B13R1.75 C=CCNc1ccc(cc1F)OC c541b9006381bdf3565a8ff7f71b4f49 [0,2,0,0,0,0|0,0,0]=2 965 B13R1.75 C=CCNc1ccc(cc1F)SC 9750044c0a53cb6a1df0397dae2f983e [0,2,0,0,0,0|0,1,0]=3 966 B13R1.75 C=CCNc1ccc(cc1I)C#N e38a2078373a2004150fd555e3075f6f [0,2,0,0,0,0|2,0,0]=4 967 B13R1.75 C=CCNc1ccc(cc1I)CC e485c03fdb156a8a76c55616729f9346 [0,2,0,0,0,0|1,0,0]=3 968 B13R1.75 C=CCNc1ccc(cc1I)CO ad1301944e6f4be9427397ff282d21b8 [0,2,0,0,0,0|2,0,0]=4 969 B13R1.75 C=CCNc1ccc(cc1I)OC 218b3a93d2c540cdf88d9ddaa3f63739 [0,2,0,0,0,0|0,0,0]=2 970 B13R1.75 C=CCNc1ccc(cc1S)OC d2794346ad8cee40feef65ffd08766e6 [0,2,0,0,0,0|0,0,0]=2 971 B13R1.75 C=CCNc1ccc(nc1Br)OC 3fc0f86fc395626f763e9379e973bd51 [0,2,0,0,0,0|1,0,0]=3 972 B13R1.75 C=CCNc1ccc(nc1C)OC 3f99fa1b536d4b41436edc5c23be8258 [0,2,0,0,0,0|1,0,0]=3 973 B13R1.75 C=CCNc1ccc(nc1Cl)OC c2ccb3ee1dea75b4d5773021e58ac126 [0,2,0,0,0,0|1,0,0]=3 974 B13R1.75 C=CCNc1ccc(nc1F)OC 637d9de37ab24d3c424fee3bf65357f3 [0,2,0,0,0,0|1,0,0]=3 975 B13R1.75 C=CCNc1cnc(cc1C)OC 1dda12380e5b5dfd1f9021c934ea36bd [0,2,0,0,0,0|1,0,0]=3 976 B13R1.75 C=CCNc1cnc(cc1Cl)OC 6a9adc571daa5dcde198b1ae5512d5ea [0,2,0,0,0,0|1,0,0]=3 977 B13R1.75 C=CCNc1cnc(nc1C)OC a9e47f3906a0dccff5522fdb3509e53f [0,2,0,0,0,0|2,0,0]=4 978 B13R1.75 C=CCNc1ncc(cc1Br)OC be985dedc64b746efaa278707a1da47c [0,2,0,0,0,0|1,0,0]=3 979 B13R1.75 C=CCNc1ncc(cc1C)OC 956be0b6b4d0176a587cb290608ff891 [0,2,0,0,0,0|1,0,0]=3 980 B13R1.75 C=CCNc1ncc(cc1F)OC 9c887539d67e2cdb891adc7976350a5a [0,2,0,0,0,0|1,0,0]=3 981 B13R1.75 C=CCNc1ncc(nc1C)OC ce80422b358b40f041cda8c650f88619 [0,2,0,0,0,0|2,0,0]=4 982 B13R1.75 C=CCNc1nnc(cc1C)OC cada64bec41feb9dec4d153d50b38c8a [0,2,0,0,0,0|2,0,0]=4 983 B13R1.75 C=CCOc1ccc(cc1Br)C#N 31625df25368ecf0b7cad5e160c8edce [0,2,0,0,0,0|2,0,0]=4 984 B13R1.75 C=CCOc1ccc(cc1Br)C=O cdd3a6d5ddc20752e21307864b1b5dca [0,2,0,0,0,0|2,0,0]=4 985 B13R1.75 C=CCOc1ccc(cc1Br)CC fc46ee4ffad2cfcde18724347b198e9c [0,2,0,0,0,0|1,0,0]=3 986 B13R1.75 C=CCOc1ccc(cc1Br)OC e1e25fb3bf16b59e1728b2423cd01438 [0,2,0,0,0,0|0,0,0]=2 987 B13R1.75 C=CCOc1ccc(cc1Br)SC 99f78f9bb884df0088bccd3d6090a6d7 [0,2,0,0,0,0|0,1,0]=3 988 B13R1.75 C=CCOc1ccc(cc1C)C#N 2e06a1d30ba8c6aacb17918fbf5f3c91 [0,2,0,0,0,0|2,0,0]=4 989 B13R1.75 C=CCOc1ccc(cc1C)C=O d1a54ada0cfe3b15b7acdc7bab63eed8 [0,2,0,0,0,0|2,0,0]=4 990 B13R1.75 C=CCOc1ccc(cc1C)CC 0769357b6ae219ae36f7d34f0abf7a56 [0,2,0,0,0,0|1,0,0]=3 991 B13R1.75 C=CCOc1ccc(cc1C)OC e156677e87516f921bdacd72e1d28efa [0,2,0,0,0,0|0,0,0]=2 992 B13R1.75 C=CCOc1ccc(cc1C)SC 31c1e16af9c8c4008cc44e81c46a8a90 [0,2,0,0,0,0|0,1,0]=3 993 B13R1.75 C=CCOc1ccc(cc1Cl)C#N 857abe8b84bf432016faf26d41bbdca7 [0,2,0,0,0,0|2,0,0]=4 994 B13R1.75 C=CCOc1ccc(cc1Cl)C=O b113b6c32a845ca6c7c93199d13abc64 [0,2,0,0,0,0|2,0,0]=4 995 B13R1.75 C=CCOc1ccc(cc1Cl)CC 83c9277fc0899cfd143c1ef934d9d2f8 [0,2,0,0,0,0|1,0,0]=3 996 B13R1.75 C=CCOc1ccc(cc1Cl)OC a93f8f5e8417b3918e1432f722a5f9ea [0,2,0,0,0,0|0,0,0]=2 997 B13R1.75 C=CCOc1ccc(cc1F)C#N 4f8dcd8d0356f56c8501c2b3e24e852d [0,2,0,0,0,0|2,0,0]=4 998 B13R1.75 C=CCOc1ccc(cc1F)C=O 8635ad3aa331de9e6ad6dc8560586890 [0,2,0,0,0,0|2,0,0]=4 999 B13R1.75 C=CCOc1ccc(cc1F)OC 9ed9a2487529917ac232b827945541a5 [0,2,0,0,0,0|0,0,0]=2 1000 B13R1.75 C=CCOc1ccc(cc1I)C#N 779910700b545c6239c0c7c55efb795e [0,2,0,0,0,0|2,0,0]=4 1001 B13R1.75 C=CCOc1ccc(cc1I)C=C 9db693b60c9c2653889ce4fb46173d31 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.75 C=CCOc1ccc(cc1I)C=O 833877332ddf3f51ec2c8e92f0db7d20 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.75 C=CCOc1ccc(cc1I)OC a4305903993c79898dcda9b494ecb7b6 [0,2,0,0,0,0|0,0,0]=2 1004 B13R1.75 C=CCOc1ccc(nc1Br)OC ac502124765b181a84731ca79fcccbdb [0,2,0,0,0,0|1,0,0]=3 1005 B13R1.75 C=CCOc1ccc(nc1C)OC 7f47873d5c64600092683a29152b14ba [0,2,0,0,0,0|1,0,0]=3 1006 B13R1.75 C=CCOc1ccc(nc1Cl)OC 4c4416a1f163ca92fac4e578864cb45a [0,2,0,0,0,0|1,0,0]=3 1007 B13R1.75 C=CCOc1cnc(cc1C)OC 6d65e545acf899414184cbb5d4a7b983 [0,2,0,0,0,0|1,0,0]=3 1008 B13R1.75 C=CCOc1cnc(cc1I)OC e480a624a57e98bd93a61cf2b1a65138 [0,2,0,0,0,0|1,0,0]=3 1009 B13R1.75 C=CCOc1cnc(nc1C)OC 7924a4efcbb606e17f43a892944b0756 [0,2,0,0,0,0|2,0,0]=4 1010 B13R1.75 C=CCOc1ncc(cc1Cl)OC 14f9f04c60dcaf7511c52e63f92c2127 [0,2,0,0,0,0|1,0,0]=3 1011 B13R1.75 CCCNc1ccc(cc1Br)OC d7d9028d1ee59f090880c899c1f10da3 [0,2,0,0,0,0|0,0,2]=4 1012 B13R1.75 CCCNc1ccc(cc1C)OC ce08cf4c8993bcedc49aa38fb5647844 [0,2,0,0,0,0|0,0,2]=4 1013 B13R1.75 CCCNc1ccc(cc1Cl)OC a65e5ec10d81f78b4945dcd5fcaa0abf [0,2,0,0,0,0|0,0,2]=4 1014 B13R1.75 CCCNc1ccc(cc1F)OC 7124b9292ecb646da81ffd2bfc80e725 [0,2,0,0,0,0|0,0,2]=4 1015 B13R1.75 CCCNc1ccc(cc1I)OC ef08a99f4c255dde415615a5d45ffdf9 [0,2,0,0,0,0|0,0,2]=4 1016 B13R1.75 CCCNc1ccc(cc1S)OC 05d77a972bad650dd217a5b63ce4881c [0,2,0,0,0,0|0,0,2]=4 1017 B13R1.75 CCCOc1ccc(cc1Br)OC b8405e1334725bccbb727685926336a5 [0,2,0,0,0,0|0,0,2]=4 1018 B13R1.75 CCCOc1ccc(cc1C)OC 19a9ae2e88745c8b860d93d212c66a4a [0,2,0,0,0,0|0,0,2]=4 1019 B13R1.75 CCCOc1ccc(cc1Cl)OC 6f55e345c2d01f9bec2b88d5289968b3 [0,2,0,0,0,0|0,0,2]=4 1020 B13R1.75 CCCOc1ccc(cc1F)OC ed358506545f8966f3aa15a37aa91cb7 [0,2,0,0,0,0|0,0,2]=4 1021 B13R1.75 CCCOc1ccc(cc1I)OC 90994b78c1c14af62fc01bc852f4683e [0,2,0,0,0,0|0,0,2]=4 1022 B13R1.75 CCNCc1ccc(cc1C)OC d43d999f4ff5820376168fc03b199588 [0,2,0,0,0,0|0,0,2]=4 1023 B13R1.75 CCNCc1ccc(cc1Cl)OC 0ceb9ccfc5e2143f7996aa0a8531dc6f [0,2,0,0,0,0|0,0,2]=4 1024 B13R1.75 CCNCc1ccc(cc1F)OC 230cb6e20a59f5ad5315696b51ae7d60 [0,2,0,0,0,0|0,0,2]=4 1025 B13R1.75 CCOCc1ccc(cc1Br)OC b8203bee705f2f1c67f26eccabbb1a0c [0,2,0,0,0,0|0,0,2]=4 1026 B13R1.75 CCOCc1ccc(cc1C)OC 8ca21e2dfaa200e91763381de45ed41c [0,2,0,0,0,0|0,0,2]=4 1027 B13R1.75 CCOCc1ccc(cc1Cl)OC 5ba124ef6f8225fe777f39500326f65a [0,2,0,0,0,0|0,0,2]=4 1028 B13R1.75 CCOCc1ccc(cc1F)OC c38a4c9e94e37e00fcd1f3c480ff1b8c [0,2,0,0,0,0|0,0,2]=4 1029 B13R1.75 CCc1ccc(c(c1)Br)NCC=O f44cc25ab9481e03ba77c483257294e3 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.75 CCc1ccc(c(c1)Br)OCC=O 2fd3f98a5cc7a71072abb7593614a017 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.75 CCc1ccc(c(c1)C)NCC=O 1148244457a059552f136e2742dc5ca4 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.75 CCc1ccc(c(c1)C)OCC=O da02c3cdabdfba478e59c015085cf426 [0,2,0,0,0,0|2,0,0]=4 1033 B13R1.75 CCc1ccc(c(c1)Cl)NCC=O e10aa69d26b69a566fb50090aa320a87 [0,2,0,0,0,0|2,0,0]=4 1034 B13R1.75 CCc1ccc(c(c1)Cl)OCC=O a0776e811489e9deb5646e6d5162a89c [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.75 CCc1ccc(c(c1)F)NCC=O d637829a1256799e22e6fedf50093c73 [0,2,0,0,0,0|2,0,0]=4 1036 B13R1.75 CCc1ccc(c(c1)I)NCC=O fd8176cdf2ed588c1aa0056ff029f51b [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.75 COCNc1ccc(cc1Br)OC c271bccd03c45ed879b56201d207e478 [0,2,0,0,0,0|1,0,1]=4 1038 B13R1.75 COCNc1ccc(cc1C)OC e7b1335ce19931d3025ca21c1f158e5f [0,2,0,0,0,0|1,0,1]=4 1039 B13R1.75 COCNc1ccc(cc1Cl)OC 69c2ca25bd3c1739768cd9aa3be71ba9 [0,2,0,0,0,0|1,0,1]=4 1040 B13R1.75 COCNc1ccc(cc1F)OC d1874f30c78d08be4f719dfc5e1e64d4 [0,2,0,0,0,0|1,0,1]=4 1041 B13R1.75 COCNc1ccc(cc1I)OC 2d8d45eb07b66eb599e63a44a558aafa [0,2,0,0,0,0|1,0,1]=4 1042 B13R1.75 COCNc1ccc(cc1S)OC e3c99c2a616e28acca4b72a4aff2b773 [0,2,0,0,0,0|1,0,1]=4 1043 B13R1.75 COCOc1ccc(cc1Br)OC cba6436901fe5ff67e02c64f5552e61e [0,2,0,0,0,0|1,0,1]=4 1044 B13R1.75 COCOc1ccc(cc1C)OC 3ce98d8d7e0e72e3ab4064dda7c599db [0,2,0,0,0,0|1,0,1]=4 1045 B13R1.75 COCOc1ccc(cc1Cl)OC 6ff8a7f55b744adec7645dc7b117edef [0,2,0,0,0,0|1,0,1]=4 1046 B13R1.75 COCOc1ccc(cc1F)OC 5e49d79f151a9cda5303a30180a546d0 [0,2,0,0,0,0|1,0,1]=4 1047 B13R1.75 COCOc1ccc(cc1I)OC d4179ef490ad5b942cd3a8c51e677544 [0,2,0,0,0,0|1,0,1]=4 1048 B13R1.75 COc1cc(c(cn1)NCC=O)C 1294d2d37000d2507e0b19f5d9a2ab8b [0,2,0,0,0,0|2,0,0]=4 1049 B13R1.75 COc1cc(c(cn1)NCC=O)Cl 29e5527a7dbb048032e9575d2aa5c89c [0,2,0,0,0,0|2,0,0]=4 1050 B13R1.75 COc1cc(c(cn1)OCC=O)C 77ff3e8aba60272319fab2f8b9f4e18a [0,2,0,0,0,0|2,0,0]=4 1051 B13R1.75 COc1cc(c(cn1)OCC=O)I c5672dd68059cf1956c90eecc53f696e [0,2,0,0,0,0|2,0,0]=4 1052 B13R1.75 COc1ccc(c(c1)Br)CNC#N 5d03bb4e73f07d160c1069612c8844b6 [0,2,0,0,0,0|1,0,1]=4 1053 B13R1.75 COc1ccc(c(c1)Br)COCF b2cdac38871752ddc0a8b79d2547a2e9 [0,2,0,0,0,0|1,0,1]=4 1054 B13R1.75 COc1ccc(c(c1)Br)NCC#N ec2fcf1c697ed07f985fe41cf0d4fcde [0,2,0,0,0,0|1,0,1]=4 1055 B13R1.75 COc1ccc(c(c1)Br)NCC=O b51e2653d22fa8eebd6a3f4149bea767 [0,2,0,0,0,0|1,0,0]=3 1056 B13R1.75 COc1ccc(c(c1)Br)NCCF 492f3a798e3471cadceb6fe3d882e6b7 [0,2,0,0,0,0|1,0,1]=4 1057 B13R1.75 COc1ccc(c(c1)Br)NCCO 557e2f3396b1dff8983ab118f83e3bb4 [0,2,0,0,0,0|1,0,1]=4 1058 B13R1.75 COc1ccc(c(c1)Br)NCCS cb412bad03838b8283f47b96e98c7551 [0,2,0,0,0,0|1,0,1]=4 1059 B13R1.75 COc1ccc(c(c1)Br)NCSC f94002d8a42822cfd87ad7d31e7181f2 [0,2,0,0,0,0|1,0,1]=4 1060 B13R1.75 COc1ccc(c(c1)Br)OCC#N 0056bf8c68cdf87121f4dfb36b57b4f8 [0,2,0,0,0,0|1,0,1]=4 1061 B13R1.75 COc1ccc(c(c1)Br)OCC=O 76c61018b89695cb8ce62a867c7678d4 [0,2,0,0,0,0|1,0,0]=3 1062 B13R1.75 COc1ccc(c(c1)Br)OCCF 05928ad7c075d9264c2b20c59653c799 [0,2,0,0,0,0|1,0,1]=4 1063 B13R1.75 COc1ccc(c(c1)Br)OCCS 299491efa19e595ddc6cb3207252909b [0,2,0,0,0,0|1,0,1]=4 1064 B13R1.75 COc1ccc(c(c1)Br)OCSC b4c4ac2d4c08aa8bd9497af42df75ddf [0,2,0,0,0,0|1,0,1]=4 1065 B13R1.75 COc1ccc(c(c1)C)CNC=O 56ec7cb188702beb88358a5b67c335dc [0,2,0,0,0,0|1,0,0]=3 1066 B13R1.75 COc1ccc(c(c1)C)CNCF 608a24043c46814282a69fbcbcb62093 [0,2,0,0,0,0|1,0,1]=4 1067 B13R1.75 COc1ccc(c(c1)C)CNCO 1ee3f39ba0d497d5bf98a79dedf30140 [0,2,0,0,0,0|1,0,1]=4 1068 B13R1.75 COc1ccc(c(c1)C)COCF bf6eaf17751b795ca9da907eb130e2e8 [0,2,0,0,0,0|1,0,1]=4 1069 B13R1.75 COc1ccc(c(c1)C)NCC#N 0253c2aefbe546e774ee0a33a1d3cd9d [0,2,0,0,0,0|1,0,1]=4 1070 B13R1.75 COc1ccc(c(c1)C)NCC=O 7d0dbf78d8e2ef1e6dd395ace88d3287 [0,2,0,0,0,0|1,0,0]=3 1071 B13R1.75 COc1ccc(c(c1)C)NCCF eab6453767a4e5678ac944d99d3439c8 [0,2,0,0,0,0|1,0,1]=4 1072 B13R1.75 COc1ccc(c(c1)C)NCCI 860e1cac2069006916cc8b26c68397b4 [0,2,0,0,0,0|1,0,1]=4 1073 B13R1.75 COc1ccc(c(c1)C)NCCO 66a87d2824c44c5c1025580d3b4f0312 [0,2,0,0,0,0|1,0,1]=4 1074 B13R1.75 COc1ccc(c(c1)C)NCCS 65f6a316fc0a89bfc83d07ba6652bc71 [0,2,0,0,0,0|1,0,1]=4 1075 B13R1.75 COc1ccc(c(c1)C)NCSC b8c7651f306a9f1818733944a852a81d [0,2,0,0,0,0|1,0,1]=4 1076 B13R1.75 COc1ccc(c(c1)C)OCC#N cf1310a03e757f5a97383d2041124c2c [0,2,0,0,0,0|1,0,1]=4 1077 B13R1.75 COc1ccc(c(c1)C)OCC=O 0c92794a1a0cc966d24e08bbee1395c7 [0,2,0,0,0,0|1,0,0]=3 1078 B13R1.75 COc1ccc(c(c1)C)OCCF fcf8450f900a294bd0f901668e702edd [0,2,0,0,0,0|1,0,1]=4 1079 B13R1.75 COc1ccc(c(c1)C)OCCS 1e76b68910a89b853737a2cf6045e54a [0,2,0,0,0,0|1,0,1]=4 1080 B13R1.75 COc1ccc(c(c1)C)OCSC 62967e8e72de4ca548d3fc75ed0fda1d [0,2,0,0,0,0|1,0,1]=4 1081 B13R1.75 COc1ccc(c(c1)Cl)CNC#N 653023efd173d7f677123c62fa762daa [0,2,0,0,0,0|1,0,1]=4 1082 B13R1.75 COc1ccc(c(c1)Cl)CNC=O 80f435d2e4cf6bcdb41b9d580d78642a [0,2,0,0,0,0|1,0,0]=3 1083 B13R1.75 COc1ccc(c(c1)Cl)CNCF 1ac20a8b880907875c9ca650d66f77ef [0,2,0,0,0,0|1,0,1]=4 1084 B13R1.75 COc1ccc(c(c1)Cl)CNCO 280714cfa41abdfff8ec9d814972f467 [0,2,0,0,0,0|1,0,1]=4 1085 B13R1.75 COc1ccc(c(c1)Cl)COCF 8abe42a96e9c0c2588637f9d773482be [0,2,0,0,0,0|1,0,1]=4 1086 B13R1.75 COc1ccc(c(c1)Cl)NCC#N 17c9c13379f75b01ca4122ff8d7b7816 [0,2,0,0,0,0|1,0,1]=4 1087 B13R1.75 COc1ccc(c(c1)Cl)NCC=O b24c60e0820510028ee08e3ec614451c [0,2,0,0,0,0|1,0,0]=3 1088 B13R1.75 COc1ccc(c(c1)Cl)NCCF ac38ba2f85f9de2bfb870cba65f3d298 [0,2,0,0,0,0|1,0,1]=4 1089 B13R1.75 COc1ccc(c(c1)Cl)NCCO 96629d0a62dff7d3693a8e3a9e15e7b0 [0,2,0,0,0,0|1,0,1]=4 1090 B13R1.75 COc1ccc(c(c1)Cl)NCCS 8ad4f5de62ae1becfd9917cfe563f321 [0,2,0,0,0,0|1,0,1]=4 1091 B13R1.75 COc1ccc(c(c1)Cl)NCSC f63fe3f193a78fe9d6fdf82f1212e3d1 [0,2,0,0,0,0|1,0,1]=4 1092 B13R1.75 COc1ccc(c(c1)Cl)OCC#N cfee06a5c5ccd06a03d5e6d3da1a3b26 [0,2,0,0,0,0|1,0,1]=4 1093 B13R1.75 COc1ccc(c(c1)Cl)OCC=O 130c3fb65a0d0e4ed333aad03cfac55c [0,2,0,0,0,0|1,0,0]=3 1094 B13R1.75 COc1ccc(c(c1)Cl)OCCF 8341c48319cd7d79019ce3b0a1650231 [0,2,0,0,0,0|1,0,1]=4 1095 B13R1.75 COc1ccc(c(c1)Cl)OCCS d02111567bb2f5303de05ac1f16c8b3a [0,2,0,0,0,0|1,0,1]=4 1096 B13R1.75 COc1ccc(c(c1)Cl)OCSC 4e597c1b0260ab55d57f471b0cc3ff6b [0,2,0,0,0,0|1,0,1]=4 1097 B13R1.75 COc1ccc(c(c1)F)CNC#N f5af8af2d9d09fd53ceea2f65d522b33 [0,2,0,0,0,0|1,0,1]=4 1098 B13R1.75 COc1ccc(c(c1)F)CNC=O 62dc3714cc58664c6612e69510b834b9 [0,2,0,0,0,0|1,0,0]=3 1099 B13R1.75 COc1ccc(c(c1)F)CNCF a37e37e85bd5348de983b71e3a87d246 [0,2,0,0,0,0|1,0,1]=4 1100 B13R1.75 COc1ccc(c(c1)F)CNCO b5aeebee11dbdc0f1332dd03b96d0abf [0,2,0,0,0,0|1,0,1]=4 1101 B13R1.75 COc1ccc(c(c1)F)COCF d53625e07979ca99284169045103b1aa [0,2,0,0,0,0|1,0,1]=4 1102 B13R1.75 COc1ccc(c(c1)F)NCC#N 264eaf84f63d39fd8fd31cdf91589a76 [0,2,0,0,0,0|1,0,1]=4 1103 B13R1.75 COc1ccc(c(c1)F)NCC=O c0cd10392b0a089d3c628a72ec6a0c38 [0,2,0,0,0,0|1,0,0]=3 1104 B13R1.75 COc1ccc(c(c1)F)NCCF 66c7bb9059deb8fe3f41e34d0063f7f3 [0,2,0,0,0,0|1,0,1]=4 1105 B13R1.75 COc1ccc(c(c1)F)NCCI 4aeca94312a22913b9f81e74943532cf [0,2,0,0,0,0|1,0,1]=4 1106 B13R1.75 COc1ccc(c(c1)F)NCCO 9e3c9d3c8d71a74d4074c616950c03e2 [0,2,0,0,0,0|1,0,1]=4 1107 B13R1.75 COc1ccc(c(c1)F)NCCS 0b85de5784bfcf63ef32d0f5eea98562 [0,2,0,0,0,0|1,0,1]=4 1108 B13R1.75 COc1ccc(c(c1)F)NCSC 02eea4d20a83d509485e5cc4924ee756 [0,2,0,0,0,0|1,0,1]=4 1109 B13R1.75 COc1ccc(c(c1)F)OCC#N 20873dc35194750e66606e8cf5cbbd11 [0,2,0,0,0,0|1,0,1]=4 1110 B13R1.75 COc1ccc(c(c1)F)OCC=O ffeda06e22807f2ef9bb8829a364a8fc [0,2,0,0,0,0|1,0,0]=3 1111 B13R1.75 COc1ccc(c(c1)F)OCCF 28d9f65ddd35157d4094688e40216de9 [0,2,0,0,0,0|1,0,1]=4 1112 B13R1.75 COc1ccc(c(c1)F)OCCS 6455f81ca925e98135491de546ad9aa9 [0,2,0,0,0,0|1,0,1]=4 1113 B13R1.75 COc1ccc(c(c1)F)OCSC bd060b04785c6cf86a18518b62bee743 [0,2,0,0,0,0|1,0,1]=4 1114 B13R1.75 COc1ccc(c(c1)I)NCC#N 7e93e03f8ffa680c15bf3c79e56aceb4 [0,2,0,0,0,0|1,0,1]=4 1115 B13R1.75 COc1ccc(c(c1)I)NCC=O c36ab9a14e07cddedb54cb88810118dc [0,2,0,0,0,0|1,0,0]=3 1116 B13R1.75 COc1ccc(c(c1)I)NCCF 02e9fc3b1a9ee1ea4b0cac33efc8b441 [0,2,0,0,0,0|1,0,1]=4 1117 B13R1.75 COc1ccc(c(c1)I)NCCO 43feb1b9a4c692c136fa0c5394c0af50 [0,2,0,0,0,0|1,0,1]=4 1118 B13R1.75 COc1ccc(c(c1)I)NCCS 5defb1ae704ce5765726700d692cd973 [0,2,0,0,0,0|1,0,1]=4 1119 B13R1.75 COc1ccc(c(c1)I)NCSC 5a21f369801560459b89d42f59b3f443 [0,2,0,0,0,0|1,0,1]=4 1120 B13R1.75 COc1ccc(c(c1)I)OCC#N 7a461585a7d9d686fe95e376dc23cc46 [0,2,0,0,0,0|1,0,1]=4 1121 B13R1.75 COc1ccc(c(c1)I)OCC=O 02a50b1d293bf8bdb1928ec8b2f41dde [0,2,0,0,0,0|1,0,0]=3 1122 B13R1.75 COc1ccc(c(c1)I)OCCF 97b6e73a2cb98b811118e453c7e31493 [0,2,0,0,0,0|1,0,1]=4 1123 B13R1.75 COc1ccc(c(c1)I)OCCS 3c6034ecce8a5e3cadfe6e0467bc7b84 [0,2,0,0,0,0|1,0,1]=4 1124 B13R1.75 COc1ccc(c(c1)I)OCSC 5d496b4f30675ad0dd6e82d76f625bec [0,2,0,0,0,0|1,0,1]=4 1125 B13R1.75 COc1ccc(c(c1)S)NCC#N 296f7114fa2e66e7c4edd54a93943e58 [0,2,0,0,0,0|1,0,1]=4 1126 B13R1.75 COc1ccc(c(c1)S)NCC=O d25d0d2f6387c4bef9e29325ea0c91ef [0,2,0,0,0,0|1,0,0]=3 1127 B13R1.75 COc1ccc(c(c1)S)NCCF afd91539dfdefbf7a43d22253d0ef79a [0,2,0,0,0,0|1,0,1]=4 1128 B13R1.75 COc1ccc(c(c1)S)NCCO 1bc365ab7b8426ca4f085bc5f9763b3b [0,2,0,0,0,0|1,0,1]=4 1129 B13R1.75 COc1ccc(c(c1)S)NCCS 98a0954f31bb416ca3a9bfa77bc259bc [0,2,0,0,0,0|1,0,1]=4 1130 B13R1.75 COc1ccc(c(c1)S)NCSC d781929f9fa75c4f8ef5f12727bcf813 [0,2,0,0,0,0|1,0,1]=4 1131 B13R1.75 COc1ccc(c(n1)Br)CNC=O b30426fe8df2ed3ce99716ea16aaabf7 [0,2,0,0,0,0|2,0,0]=4 1132 B13R1.75 COc1ccc(c(n1)Br)NCC=O 6c505e1def38b6e5e8e26718cee7ba0a [0,2,0,0,0,0|2,0,0]=4 1133 B13R1.75 COc1ccc(c(n1)Br)OCC=O bda644d029e08b7e08347613ebbffde8 [0,2,0,0,0,0|2,0,0]=4 1134 B13R1.75 COc1ccc(c(n1)C)CNC=O 0f5f975057abf44e482c1a1e5f253786 [0,2,0,0,0,0|2,0,0]=4 1135 B13R1.75 COc1ccc(c(n1)C)NCC=O d709211d471fbc70bf30151a8bdaf30b [0,2,0,0,0,0|2,0,0]=4 1136 B13R1.75 COc1ccc(c(n1)C)OCC=O 1d3042173e773a7fc35b84d08184e41a [0,2,0,0,0,0|2,0,0]=4 1137 B13R1.75 COc1ccc(c(n1)Cl)NCC=O 5842503311f1a48ebbccbd5345de2f04 [0,2,0,0,0,0|2,0,0]=4 1138 B13R1.75 COc1ccc(c(n1)Cl)OCC=O 380d0b10321e6228ef4fe3657ee22a29 [0,2,0,0,0,0|2,0,0]=4 1139 B13R1.75 COc1ccc(c(n1)F)NCC=O 61e5f467942847b0d1d5b6b47d491f78 [0,2,0,0,0,0|2,0,0]=4 1140 B13R1.75 COc1cnc(c(c1)Br)NCC=O 38894354d7ebd1547714cc101c4f6b73 [0,2,0,0,0,0|2,0,0]=4 1141 B13R1.75 COc1cnc(c(c1)C)CNC=O 8a6c4e1e7ff53a4b1e292cea50a878a7 [0,2,0,0,0,0|2,0,0]=4 1142 B13R1.75 COc1cnc(c(c1)C)NCC=O 82286be26f2f9cd0356e8492ae5aeb57 [0,2,0,0,0,0|2,0,0]=4 1143 B13R1.75 COc1cnc(c(c1)Cl)OCC=O aa623c833ec1f6fe6ceda51ea5b55f7d [0,2,0,0,0,0|2,0,0]=4 1144 B13R1.75 COc1cnc(c(c1)F)NCC=O 7859f7f147c8f3412e6c436deec7e1f2 [0,2,0,0,0,0|2,0,0]=4 1145 B13R1.75 CSc1ccc(c(c1)Br)OCC=O bd0793990ea2d736cf41e3de50468006 [0,2,0,0,0,0|1,1,0]=4 1146 B13R1.75 CSc1ccc(c(c1)C)NCC=O 6996ce5e6c475b944b9459a997a26f9f [0,2,0,0,0,0|1,1,0]=4 1147 B13R1.75 CSc1ccc(c(c1)C)OCC=O 4c30e2cc27a38233142c04e293ca0421 [0,2,0,0,0,0|1,1,0]=4 1148 B13R1.75 CSc1ccc(c(c1)F)NCC=O 1deecf728f2373155517321e1dce9cf7 [0,2,0,0,0,0|1,1,0]=4 1149 B13R1.77 C#CCNc1ccc(cc1)CC=C 3f583169be81a800a44ec20d61cda850 [0,2,0,0,0,0|1,0,0]=3 1150 B13R1.77 C#CCNc1ccc(cc1)COC 95af19c6c4f7fd8ca8648c20a4fa8db3 [0,2,0,0,0,0|0,0,2]=4 1151 B13R1.77 C#CCNc1ccc(cc1)OCC e999baa0776828708aa39518d367a8bc [0,2,0,0,0,0|0,0,2]=4 1152 B13R1.77 C#CCNc1ccc(cc1)OCF 70ae3646b58c491eeae8ea7864506ae1 [0,2,0,0,0,0|0,0,2]=4 1153 B13R1.77 C#CCOc1ccc(cc1)CC#C 6d01bf977f15122b50ddabf711087e30 [0,2,0,0,0,0|0,0,2]=4 1154 B13R1.77 C#CCOc1ccc(cc1)CC#N 43ab9e191716c19ff21b3ee2c198d5ba [0,2,0,0,0,0|1,0,1]=4 1155 B13R1.77 C#CCOc1ccc(cc1)CC=C ea0dffe660ba41d7aa00906e8eeb425b [0,2,0,0,0,0|0,0,0]=2 1156 B13R1.77 C#CCOc1ccc(cc1)CC=O d1b611d510fdf9c285637bdc40c1777a [0,2,0,0,0,0|1,0,0]=3 1157 B13R1.77 C#CCOc1ccc(cc1)CCF 7d004ff6b01135f11f545cb4f334538e [0,2,0,0,0,0|1,0,1]=4 1158 B13R1.77 C#CCOc1ccc(cc1)COC 24da1871245698301f8295e5b8b3d779 [0,2,0,0,0,0|0,0,2]=4 1159 B13R1.77 C#CCOc1ccc(cc1)NC=O c7cb97321381b3c0937d5c1f546eb9bb [0,2,0,0,0,0|2,0,0]=4 1160 B13R1.77 C#CCOc1ccc(cc1)OCC c213523b1fb6b42f2bb3fa5a4db077e8 [0,2,0,0,0,0|0,0,2]=4 1161 B13R1.77 C#CCOc1ccc(cc1)OCF 9c34ce53d99deee37a02792c8ecb684a [0,2,0,0,0,0|0,0,2]=4 1162 B13R1.77 C#CCc1ccc(cc1)COCC 336ce8cb4ce1887e28a52c3e8e8dbafd [0,2,0,0,0,0|0,0,2]=4 1163 B13R1.77 C#CCc1ccc(cc1)COCF 4b6879436607b80121744b2c88088956 [0,2,0,0,0,0|0,0,2]=4 1164 B13R1.77 C#CCc1ccc(cc1)OCC#N e396224db9ea2731e3a77d0dfd762e5a [0,2,0,0,0,0|0,0,2]=4 1165 B13R1.77 C#CCc1ccc(cc1)OCC=C 7e130ca341807734b84f7796d1823d7b [0,2,0,0,0,0|0,0,2]=4 1166 B13R1.77 C#CCc1ccc(cc1)OCC=O 795b443761886a392026a201d83a01f3 [0,2,0,0,0,0|0,0,2]=4 1167 B13R1.77 C#CCc1ccc(cc1)OCCC 0c89b4e29422de9d2c175d170da329cc [0,2,0,0,0,0|0,0,2]=4 1168 B13R1.77 C#CCc1ccc(cc1)OCCF d3bc66eaeaadf0c5574ccd3fd5225aa0 [0,2,0,0,0,0|0,0,2]=4 1169 B13R1.77 C#CCc1ccc(cc1)OCCS 7f54b0d2ddd3efe1f798e47db1a0711c [0,2,0,0,0,0|0,0,2]=4 1170 B13R1.77 C#CCc1ccc(cc1)OCOC 54da24b1107a4f114318822204de6e1e [0,2,0,0,0,0|0,0,2]=4 1171 B13R1.77 C#CCc1ccc(cc1)OCSC 55d35a2722c76afd62f891bf08e9b703 [0,2,0,0,0,0|0,0,2]=4 1172 B13R1.77 C=CCCc1ccc(cc1)NC#N 1b79ccc6a45763611175c36eed16aa85 [0,2,0,0,0,0|1,0,1]=4 1173 B13R1.77 C=CCCc1ccc(cc1)OCC a2178d708dad6e384dd03790154b50ea [0,2,0,0,0,0|0,0,0]=2 1174 B13R1.77 C=CCCc1ccc(cc1)OCF b18dfb6a8fd158fdbc0857531bd6acf0 [0,2,0,0,0,0|0,0,0]=2 1175 B13R1.77 C=CCNc1ccc(cc1)CC#N 7f659134eeb404167d37b07ecab5ad82 [0,2,0,0,0,0|1,0,1]=4 1176 B13R1.77 C=CCNc1ccc(cc1)CC=C a6345050f20328c07dbe48aedf2eac92 [0,2,0,0,0,0|1,0,0]=3 1177 B13R1.77 C=CCNc1ccc(cc1)CCBr a5f6cd33c856e7e40bc49aa6c16a9e1a [0,2,0,0,0,0|1,0,0]=3 1178 B13R1.77 C=CCNc1ccc(cc1)CCC ab8f12e82a94dbbc0c04958df1ea26ff [0,2,0,0,0,0|1,0,0]=3 1179 B13R1.77 C=CCNc1ccc(cc1)CCO 6a850a9f503a951d5b6b22b828fdb63c [0,2,0,0,0,0|1,0,0]=3 1180 B13R1.77 C=CCNc1ccc(cc1)COC 18bd5c2a068899ab28bbccca9737f4c2 [0,2,0,0,0,0|0,0,0]=2 1181 B13R1.77 C=CCNc1ccc(cc1)CSC dcb0b65ba2697e4988238cd3e685120a [0,2,0,0,0,0|0,1,0]=3 1182 B13R1.77 C=CCNc1ccc(cc1)OCC 9764297f99583ac7319e03251f76de7c [0,2,0,0,0,0|0,0,0]=2 1183 B13R1.77 C=CCNc1ccc(cc1)OCF 371d53fe4c769fe3d4503f47e88bf131 [0,2,0,0,0,0|0,0,0]=2 1184 B13R1.77 C=CCNc1ccc(cc1)SC#N d7521e266eaaefce0e48e38c10139c03 [0,2,0,0,0,0|0,1,1]=4 1185 B13R1.77 C=CCNc1ccc(cn1)OCC 12ac4069deb493cf3af3e13a2cbaae65 [0,2,0,0,0,0|1,0,0]=3 1186 B13R1.77 C=CCNc1ccc(nc1)OCC 6ff181be4dd8e03c9c90eafa1d932cf9 [0,2,0,0,0,0|1,0,0]=3 1187 B13R1.77 C=CCNc1ccc(nn1)OCC ce50a899dc0b9ee30123579411a0241f [0,2,0,0,0,0|2,0,0]=4 1188 B13R1.77 C=CCNc1cnc(cn1)OCC e5a4b95a017133997e343bdf27e72bc8 [0,2,0,0,0,0|2,0,0]=4 1189 B13R1.77 C=CCNc1cnc(nc1)OCC 34ae4e7c1866a5ed30dc517d64c82a35 [0,2,0,0,0,0|2,0,0]=4 1190 B13R1.77 C=CCNc1ncc(cn1)OCC abbec2a37aadd085b94762c151c79371 [0,2,0,0,0,0|2,0,0]=4 1191 B13R1.77 C=CCOc1ccc(cc1)CC#N 41743f6c37eef204043a7795abbe8e81 [0,2,0,0,0,0|1,0,1]=4 1192 B13R1.77 C=CCOc1ccc(cc1)CC=C 7563fecb36b3843d90e2a107a1573d4d [0,2,0,0,0,0|0,0,0]=2 1193 B13R1.77 C=CCOc1ccc(cc1)CC=O 866410ff39075ca2267f3654d7d969e3 [0,2,0,0,0,0|1,0,0]=3 1194 B13R1.77 C=CCOc1ccc(cc1)CCC d0e52fbdb23affe980829808e08e1c02 [0,2,0,0,0,0|1,0,0]=3 1195 B13R1.77 C=CCOc1ccc(cc1)CCF 1286dfbc76249613b6e32d67baf3737a [0,2,0,0,0,0|1,0,0]=3 1196 B13R1.77 C=CCOc1ccc(cc1)COC cab2c5dd1167d7f14e9f5ba3d27d71e6 [0,2,0,0,0,0|0,0,0]=2 1197 B13R1.77 C=CCOc1ccc(cc1)NC#N 5c047cb2071902ec35b1b7e813955fdb [0,2,0,0,0,0|1,0,1]=4 1198 B13R1.77 C=CCOc1ccc(cc1)NC=O 1afa163959eae4aa3dd8eb5f01509cfc [0,2,0,0,0,0|1,0,1]=4 1199 B13R1.77 C=CCOc1ccc(cc1)NCC e47f5456ac59d455bb47d81d9af0579a [0,2,0,0,0,0|1,0,0]=3 1200 B13R1.77 C=CCOc1ccc(cc1)NCF 3f63a27321636d11e93562f817bfca77 [0,2,0,0,0,0|1,0,0]=3 1201 B13R1.77 C=CCOc1ccc(cc1)NCO 62f944f51ef897526aa291400ad083fa [0,2,0,0,0,0|1,0,0]=3 1202 B13R1.77 C=CCOc1ccc(cc1)OCC e9d5bd017066b959c7bf16ef0ffe8bf5 [0,2,0,0,0,0|0,0,0]=2 1203 B13R1.77 C=CCOc1ccc(cc1)OCF 5d67e4b5574a750ed3fd6d95b8ceb51d [0,2,0,0,0,0|0,0,0]=2 1204 B13R1.77 C=CCOc1ccc(cc1)SCC a63e9ab4729b2bf4f34a26a1c223ff27 [0,2,0,0,0,0|0,1,0]=3 1205 B13R1.77 C=CCOc1ccc(nc1)OCC 1f3708fa0fa7059092096f21ad34e989 [0,2,0,0,0,0|1,0,0]=3 1206 B13R1.77 C=CCOc1cnc(nc1)COC 4bd7bcfe9e3aa4829f448a1d8a008794 [0,2,0,0,0,0|2,0,0]=4 1207 B13R1.77 C=CCc1ccc(cc1)NCC#N 14eaa228b6cd306b8c37ef1ed3f9394b [0,2,0,0,0,0|1,0,0]=3 1208 B13R1.77 C=CCc1ccc(cc1)NCC=O b9f7090020f81a3d3cd5b03a1f0ba7b0 [0,2,0,0,0,0|1,0,0]=3 1209 B13R1.77 C=CCc1ccc(cc1)NCCBr ed06768dc171f080ff7746600b7e6a9e [0,2,0,0,0,0|1,0,0]=3 1210 B13R1.77 C=CCc1ccc(cc1)NCCC b19e8134e99af6cadc3ffe772c566ec4 [0,2,0,0,0,0|1,0,0]=3 1211 B13R1.77 C=CCc1ccc(cc1)NCCF 28d95fd06bbd9b563d41d3db7b19f7bd [0,2,0,0,0,0|1,0,0]=3 1212 B13R1.77 C=CCc1ccc(cc1)NCCI f0947a9669936fcefe1b8f3a32811c37 [0,2,0,0,0,0|1,0,0]=3 1213 B13R1.77 C=CCc1ccc(cc1)NCCO cf57c34a7b78afa15e8097b92f9a221b [0,2,0,0,0,0|1,0,0]=3 1214 B13R1.77 C=CCc1ccc(cc1)NCCS 38b02f8b437f43f51b2866325365719b [0,2,0,0,0,0|1,0,0]=3 1215 B13R1.77 C=CCc1ccc(cc1)NCOC c5d5cc8c863772142c5dba6b33e140d4 [0,2,0,0,0,0|0,0,0]=2 1216 B13R1.77 C=CCc1ccc(cc1)NCSC 0c984dc283f148015e6dc6b983f05083 [0,2,0,0,0,0|0,1,0]=3 1217 B13R1.77 C=CCc1ccc(cc1)OCC#N 87b580075aff24cc925615bbcff7cc8c [0,2,0,0,0,0|0,0,0]=2 1218 B13R1.77 C=CCc1ccc(cc1)OCC=O 4eca52b63c7394415a34609f63a55fbd [0,2,0,0,0,0|0,0,0]=2 1219 B13R1.77 C=CCc1ccc(cc1)OCCC 6ef64ea209313e7dad11797f3be3d8ac [0,2,0,0,0,0|0,0,0]=2 1220 B13R1.77 C=CCc1ccc(cc1)OCCF 52e142f7e2988d2360acdf6f395d7abf [0,2,0,0,0,0|0,0,0]=2 1221 B13R1.77 C=CCc1ccc(cc1)OCCS abf67bcc6a566b48b0111943b6da65ec [0,2,0,0,0,0|0,0,0]=2 1222 B13R1.77 C=CCc1ccc(cc1)OCOC 9d0571c06fe57ccd511f8988b11e5f14 [0,2,0,0,0,0|0,0,0]=2 1223 B13R1.77 C=CCc1ccc(cc1)OCSC fe6bf0eb86d8da42873a5dd8e792562c [0,2,0,0,0,0|0,0,0]=2 1224 B13R1.77 C=COc1ccc(cc1)COCC 5f15455ee800755bed98ac017e2414b4 [0,2,0,0,0,0|1,0,0]=3 1225 B13R1.77 C=COc1ccc(cc1)COCF 3ab4d7b150d2bed92df645be9ebf135e [0,2,0,0,0,0|1,0,0]=3 1226 B13R1.77 C=COc1ccc(cc1)NCCI 6a8d028951bdee551c0f7f2bd2d6e051 [0,2,0,0,0,0|2,0,0]=4 1227 B13R1.77 C=COc1ccc(cc1)NCCO 5e83f50c7e80e417fb3435098d2f07c7 [0,2,0,0,0,0|2,0,0]=4 1228 B13R1.77 C=COc1ccc(cc1)NCCS cb67c52171d3b5a60a2ae2cb4510086b [0,2,0,0,0,0|2,0,0]=4 1229 B13R1.77 CCCCc1ccc(cc1)OCC 747ca328e093f103f21b4fe8fa01e74c [0,2,0,0,0,0|0,0,2]=4 1230 B13R1.77 CCCCc1ccc(cc1)OCF 354a03100bde48fa24b9ebc472fb0002 [0,2,0,0,0,0|0,0,2]=4 1231 B13R1.77 CCCNc1ccc(cc1)CC=O 010c3a4e679d81bdaee22a10403ef190 [0,2,0,0,0,0|2,0,0]=4 1232 B13R1.77 CCCNc1ccc(cc1)COC 7c794509037f57c3fe553501c38b9854 [0,2,0,0,0,0|0,0,2]=4 1233 B13R1.77 CCCNc1ccc(cc1)OCC 7bd7b91a14d8c5ee8e771eebad1c536e [0,2,0,0,0,0|0,0,2]=4 1234 B13R1.77 CCCNc1ccc(cc1)OCF 94dbb223d0eb56ff31b72f64f7429edd [0,2,0,0,0,0|0,0,2]=4 1235 B13R1.77 CCCOc1ccc(cc1)CC#N 1cb702313b3bca938c7fbd4ddcd2a2c4 [0,2,0,0,0,0|1,0,1]=4 1236 B13R1.77 CCCOc1ccc(cc1)CC=O 55d9e6ebc77ab5681bd1a76124399f6d [0,2,0,0,0,0|1,0,0]=3 1237 B13R1.77 CCCOc1ccc(cc1)CCC f95fcb4c98da199ff6f4109ef485f690 [0,2,0,0,0,0|0,0,2]=4 1238 B13R1.77 CCCOc1ccc(cc1)CCF 5d640b38416e16bf14941cf3950067e2 [0,2,0,0,0,0|1,0,1]=4 1239 B13R1.77 CCCOc1ccc(cc1)COC 07e8206ea9a412c5ca73af3b3ce5c147 [0,2,0,0,0,0|0,0,2]=4 1240 B13R1.77 CCCOc1ccc(cc1)NC=O 10941f62cdc3189343ec4ec61f19c53c [0,2,0,0,0,0|2,0,0]=4 1241 B13R1.77 CCCOc1ccc(cc1)OCC 05168cee22117dfc2b9eb7ac9db2e1df [0,2,0,0,0,0|0,0,2]=4 1242 B13R1.77 CCCOc1ccc(cc1)OCF 1096b7e6b571a60badfc670448eba4cd [0,2,0,0,0,0|0,0,2]=4 1243 B13R1.77 CCCSc1ccc(cc1)OCC 78cc0907e1bc8a156c69520b1b58ff1e [0,2,0,0,0,0|0,0,2]=4 1244 B13R1.77 CCCSc1ccc(cc1)OCF 4574549e139d0692690ee1385340ec13 [0,2,0,0,0,0|0,0,2]=4 1245 B13R1.77 CCCc1ccc(cc1)CNC=O 842faaa658c70b99fb931ed3fa48e489 [0,2,0,0,0,0|2,0,0]=4 1246 B13R1.77 CCCc1ccc(cc1)NCC=O b4b54e46508217eefba78d6aad215a3f [0,2,0,0,0,0|2,0,0]=4 1247 B13R1.77 CCCc1ccc(cc1)NCOC 067b84999e9e60cebe7d6c43384fbaad [0,2,0,0,0,0|0,0,2]=4 1248 B13R1.77 CCCc1ccc(cc1)OCC#N 8b5a3b6491ad1cfc6be11defda14333c [0,2,0,0,0,0|0,0,2]=4 1249 B13R1.77 CCCc1ccc(cc1)OCC=O a55c0e222bc736e09bda630e5aef51ae [0,2,0,0,0,0|0,0,2]=4 1250 B13R1.77 CCCc1ccc(cc1)OCCF 30ab945458449c7ba797e8a20041a938 [0,2,0,0,0,0|0,0,2]=4 1251 B13R1.77 CCCc1ccc(cc1)OCSC 879c46792a7460717d58484d833618c9 [0,2,0,0,0,0|0,0,2]=4 1252 B13R1.77 CCNCc1ccc(cc1)COC c5c7c3d26691adc0c79cf1487d2eb632 [0,2,0,0,0,0|0,0,2]=4 1253 B13R1.77 CCNCc1ccc(cc1)OCC 1ae16c0c9464b73f17e002d0343d3e24 [0,2,0,0,0,0|0,0,2]=4 1254 B13R1.77 CCOCc1ccc(cc1)CC#N c7ea89597412613c9c4fb0580de12bc6 [0,2,0,0,0,0|1,0,1]=4 1255 B13R1.77 CCOCc1ccc(cc1)COC 5ce4b5d1a8887e75b2626989237c4db9 [0,2,0,0,0,0|0,0,2]=4 1256 B13R1.77 CCOCc1ccc(cc1)OCC ac96f7972e126aa3ad5388597e3139c0 [0,2,0,0,0,0|0,0,2]=4 1257 B13R1.77 CCOCc1ccc(cc1)OCF ca086ee0e050000fd9cad5f94d28ba08 [0,2,0,0,0,0|0,0,2]=4 1258 B13R1.77 CCOc1ccc(cc1)/C=C/C=O 6eeaf384a49c25876d6bb46c1c0efdfc [0,2,0,0,0,0|0,0,1]=3 1259 B13R1.77 CCOc1ccc(cc1)CCC#N 1cf8a5ffffab40f1c9d418c992a3656d [0,2,0,0,0,0|0,0,2]=4 1260 B13R1.77 CCOc1ccc(cc1)CCC=O b379594cbce28fad2606cff6b30f6f30 [0,2,0,0,0,0|0,0,1]=3 1261 B13R1.77 CCOc1ccc(cc1)CCOC 7878c3f973763652d7216793baeb2db5 [0,2,0,0,0,0|0,0,2]=4 1262 B13R1.77 CCOc1ccc(cc1)CNC#N ef6203a943f4a81a6063753d2eda44ac [0,2,0,0,0,0|1,0,1]=4 1263 B13R1.77 CCOc1ccc(cc1)CNC=O 0e0ed90d119f75f02ef28481e0633c0d [0,2,0,0,0,0|1,0,0]=3 1264 B13R1.77 CCOc1ccc(cc1)CNCF c5b17f247fe11c6061f5f8f3b1205571 [0,2,0,0,0,0|1,0,1]=4 1265 B13R1.77 CCOc1ccc(cc1)CNCO bb79f77065727e393beb015d4516b335 [0,2,0,0,0,0|1,0,1]=4 1266 B13R1.77 CCOc1ccc(cc1)COCF 0f552afa6258318c4d5fa9db86aaf6f4 [0,2,0,0,0,0|1,0,1]=4 1267 B13R1.77 CCOc1ccc(cc1)NCC#N c54eae31bd848f425e2e5375ddd70c64 [0,2,0,0,0,0|1,0,1]=4 1268 B13R1.77 CCOc1ccc(cc1)NCC=O 137717a27a48a040f3e2938b8dab68db [0,2,0,0,0,0|1,0,0]=3 1269 B13R1.77 CCOc1ccc(cc1)NCCF 4bc9864044ad11c1420a40e3cd27868a [0,2,0,0,0,0|1,0,1]=4 1270 B13R1.77 CCOc1ccc(cc1)NCCI 5abee51e096284de85c8352b4b0a0d9c [0,2,0,0,0,0|1,0,1]=4 1271 B13R1.77 CCOc1ccc(cc1)NCCO b48dcf7ad8d70a170b833f794463bf9e [0,2,0,0,0,0|1,0,1]=4 1272 B13R1.77 CCOc1ccc(cc1)NCCS 42aec664a7d4040497bf0275af4b43ba [0,2,0,0,0,0|1,0,1]=4 1273 B13R1.77 CCOc1ccc(cc1)NCOC ec28fdf9e118b1549465155b55abcda2 [0,2,0,0,0,0|1,0,1]=4 1274 B13R1.77 CCOc1ccc(cc1)NCSC 1faba4435dab7d4da32075a75b22bece [0,2,0,0,0,0|1,0,1]=4 1275 B13R1.77 CCOc1ccc(cc1)OCC#N cca0ea5b36d034533d342cd9e641d99e [0,2,0,0,0,0|1,0,1]=4 1276 B13R1.77 CCOc1ccc(cc1)OCC=O 81207fd88aef16af24bab2ea926eee61 [0,2,0,0,0,0|1,0,0]=3 1277 B13R1.77 CCOc1ccc(cc1)OCCF 7df419943fa7e30295e3be5eb8c96b84 [0,2,0,0,0,0|1,0,1]=4 1278 B13R1.77 CCOc1ccc(cc1)OCCS 2dd972fbf82abefc404ecb1647e6d119 [0,2,0,0,0,0|1,0,1]=4 1279 B13R1.77 CCOc1ccc(cc1)OCOC 97fc6a2fcd12d4e502e799a5bd54ec49 [0,2,0,0,0,0|1,0,1]=4 1280 B13R1.77 CCOc1ccc(cc1)OCSC 1564a062e106efa597b867d9b9032881 [0,2,0,0,0,0|1,0,1]=4 1281 B13R1.77 CCOc1ccc(cn1)CNC=O 7a896d2118fcbb6df96a4ba7cc4fe328 [0,2,0,0,0,0|2,0,0]=4 1282 B13R1.77 CCOc1ccc(cn1)NCC=O 34cdd65e269c39774b3c8ae51091e8c9 [0,2,0,0,0,0|2,0,0]=4 1283 B13R1.77 CCOc1ccc(cn1)OCC=O 19d4b8d526eacbf9e237fe0158c23130 [0,2,0,0,0,0|2,0,0]=4 1284 B13R1.77 CCOc1ccc(nc1)NCC=O 68ca34ee6d60ed8e4f11214b306c652f [0,2,0,0,0,0|2,0,0]=4 1285 B13R1.77 CCSc1ccc(cc1)OCC=O d1ea7ccef7c9c679a4877298659375f1 [0,2,0,0,0,0|1,1,0]=4 1286 B13R1.77 COCCc1ccc(cc1)OCF 41cfa48e59843a1317d840146d169634 [0,2,0,0,0,0|0,0,2]=4 1287 B13R1.77 COCNc1ccc(cc1)CC#N 3e9644d6b1c1a691b56c03256a9c2345 [0,2,0,0,0,0|1,0,1]=4 1288 B13R1.77 COCNc1ccc(cc1)CCBr ce003fcef2b556e809b3ec645c365587 [0,2,0,0,0,0|1,0,1]=4 1289 B13R1.77 COCNc1ccc(cc1)CCO 38ead8bc25477025a8ed663442769750 [0,2,0,0,0,0|1,0,1]=4 1290 B13R1.77 COCNc1ccc(cc1)COC ac013f5dba4ed54bfd1a2e76e1a14cf4 [0,2,0,0,0,0|1,0,1]=4 1291 B13R1.77 COCNc1ccc(cc1)CSC 522c99e224e929cc4d89aa51781cd5df [0,2,0,0,0,0|1,0,1]=4 1292 B13R1.77 COCNc1ccc(cc1)OCF 85481ae065914435afc5b1dd0546aee4 [0,2,0,0,0,0|1,0,1]=4 1293 B13R1.77 COCOc1ccc(cc1)CC#N c2c0d51c7a3c9721d856ff16241dd5dd [0,2,0,0,0,0|1,0,1]=4 1294 B13R1.77 COCOc1ccc(cc1)CC=O 7a3709845e26fca77207edfa9d19edf5 [0,2,0,0,0,0|1,0,0]=3 1295 B13R1.77 COCOc1ccc(cc1)CCF 32f44791ddb7281692856033b0c3352c [0,2,0,0,0,0|1,0,1]=4 1296 B13R1.77 COCOc1ccc(cc1)COC 67c7be74fad4649a042087c13beba939 [0,2,0,0,0,0|1,0,1]=4 1297 B13R1.77 COCOc1ccc(cc1)NC=O 321675bf8418bd7749caf8ebc34d7525 [0,2,0,0,0,0|2,0,0]=4 1298 B13R1.77 COCOc1ccc(cc1)OCF 773add96be5eafa8c47b3d7c5037ab5d [0,2,0,0,0,0|1,0,1]=4 1299 B13R1.77 COCc1ccc(cc1)CNC=O d7f7cd0ee0e27c5ae94a82a1a0ad8f35 [0,2,0,0,0,0|1,0,0]=3 1300 B13R1.77 COCc1ccc(cc1)CNCF 8c5dc0ff4fdbdedcb7c7e290fe63f9d6 [0,2,0,0,0,0|1,0,1]=4 1301 B13R1.77 COCc1ccc(cc1)CNCO 6fdca4cfe250be472ac3c8ba462a4107 [0,2,0,0,0,0|1,0,1]=4 1302 B13R1.77 COCc1ccc(cc1)COCF 05f0236fa867fa499ed1ba86aa04627a [0,2,0,0,0,0|1,0,1]=4 1303 B13R1.77 COCc1ccc(cc1)NCC#N 1f678b1ba6bf2a97269b0887521b697e [0,2,0,0,0,0|1,0,1]=4 1304 B13R1.77 COCc1ccc(cc1)NCC=O 8fc3262b6503b06239e1289e3b1957a6 [0,2,0,0,0,0|1,0,0]=3 1305 B13R1.77 COCc1ccc(cc1)NCCF aa335a30c2967c7b5377501df7546c1b [0,2,0,0,0,0|1,0,1]=4 1306 B13R1.77 COCc1ccc(cc1)NCCI 0c36db1773c1663788254aec12344cfd [0,2,0,0,0,0|1,0,1]=4 1307 B13R1.77 COCc1ccc(cc1)NCCO b506952c7a6b0f33818fd2ee1033d689 [0,2,0,0,0,0|1,0,1]=4 1308 B13R1.77 COCc1ccc(cc1)NCCS fb6fe060a3673cfe72576263413b8ccf [0,2,0,0,0,0|1,0,1]=4 1309 B13R1.77 COCc1ccc(cc1)NCSC c70ff6133a6e60b944e415753a9bcedc [0,2,0,0,0,0|1,0,1]=4 1310 B13R1.77 COCc1ccc(cc1)OCC#N e17e9a707ac078e37e8824dd235cde09 [0,2,0,0,0,0|1,0,1]=4 1311 B13R1.77 COCc1ccc(cc1)OCC=O 8e9ec5bcc9d941553174184d2dbdfa95 [0,2,0,0,0,0|1,0,0]=3 1312 B13R1.77 COCc1ccc(cc1)OCCF a36921e0fcaf38721efd65024a515cbb [0,2,0,0,0,0|1,0,1]=4 1313 B13R1.77 COCc1ccc(cc1)OCCS 9fc41ee378587c7420b5dab4326abc2f [0,2,0,0,0,0|1,0,1]=4 1314 B13R1.77 COCc1ccc(cc1)OCSC be45120b34fe6e173df6bb3e6254648d [0,2,0,0,0,0|1,0,1]=4 1315 B13R1.77 COCc1ccc(cn1)CNC=O 6958fe799fcace4729d10653776fc05c [0,2,0,0,0,0|2,0,0]=4 1316 B13R1.77 CSCNc1ccc(cc1)OCF 8d7e2af2d78d80157fcaa17c3d50e92d [0,2,0,0,0,0|1,0,1]=4 1317 B13R1.77 CSCOc1ccc(cc1)CC#N fa2270bb540e0f5df82a5a35f2a9e34a [0,2,0,0,0,0|1,0,1]=4 1318 B13R1.77 CSCOc1ccc(cc1)CC=O d3806c7f6835c343b9ca2621a50afd5e [0,2,0,0,0,0|1,0,0]=3 1319 B13R1.77 CSCOc1ccc(cc1)CCF 8aaa6e2874ecb7b9047e142a20c97774 [0,2,0,0,0,0|1,0,1]=4 1320 B13R1.77 CSCOc1ccc(cc1)NC=O d83008533bd9b10bb856cd9de739eb48 [0,2,0,0,0,0|2,0,0]=4 1321 B13R1.77 CSCc1ccc(cc1)NCC=O 29624752f7b739054454229ef11babaf [0,2,0,0,0,0|1,1,0]=4 1322 B13R1.77 FCCNc1ccc(cc1)OCF 7f8ff59cede356d5d82fe9df9c8f94a4 [0,2,0,0,0,0|1,0,1]=4 1323 B13R1.77 FCCOc1ccc(cc1)CCF a4f3fa2124676f2763245f65dfe9c3f2 [0,2,0,0,0,0|1,0,1]=4 1324 B13R1.77 FCCc1ccc(cc1)OCCS fedcde12e9cb1d2a012bada39b8a2cfb [0,2,0,0,0,0|1,0,1]=4 1325 B13R1.77 FCOc1ccc(cc1)NCCS 9454f433c3dfb4a5560af8116fbedada [0,2,0,0,0,0|1,0,1]=4 1326 B13R1.77 N#CCCc1ccc(cc1)OCF 08bacdd97013fc5c94e99db8cea90668 [0,2,0,0,0,0|0,0,2]=4 1327 B13R1.77 N#CCNc1ccc(cc1)CC=O 8338286eda1f9fa81995dba48915f262 [0,2,0,0,0,0|2,0,0]=4 1328 B13R1.77 N#CCNc1ccc(cc1)OCF ccfcdab464623ad232b7050d93d4326a [0,2,0,0,0,0|1,0,1]=4 1329 B13R1.77 N#CCOc1ccc(cc1)CC#N a4653e539260be8f9c94840439de3cb6 [0,2,0,0,0,0|1,0,1]=4 1330 B13R1.77 N#CCOc1ccc(cc1)CC=O 5cabed29201a77521c64d7986efebbf7 [0,2,0,0,0,0|1,0,0]=3 1331 B13R1.77 N#CCOc1ccc(cc1)CCF 23373426b076b3e97dcb5fb969a129f7 [0,2,0,0,0,0|1,0,1]=4 1332 B13R1.77 N#CCOc1ccc(cc1)NC=O 532c90ed7b80dcebcf4996eaa56b93c9 [0,2,0,0,0,0|2,0,0]=4 1333 B13R1.77 N#CCOc1ccc(cc1)OCF 563eff87c1154c6959c1694bf7e36530 [0,2,0,0,0,0|1,0,1]=4 1334 B13R1.77 N#CCc1ccc(cc1)COCF 8263f1c1b13b16e0ffd5928742159fd0 [0,2,0,0,0,0|1,0,1]=4 1335 B13R1.77 N#CCc1ccc(cc1)OCC=O c5cc8e11ced1e2addff11b7b5b6c2bdc [0,2,0,0,0,0|1,0,1]=4 1336 B13R1.77 N#CCc1ccc(cc1)OCCF 087327e4cc9159cf98123515a1b344db [0,2,0,0,0,0|1,0,1]=4 1337 B13R1.77 N#CCc1ccc(cc1)OCCS b889b4ed645123a3ba2e0d662a11d9d0 [0,2,0,0,0,0|1,0,1]=4 1338 B13R1.77 O=C/C=C/c1ccc(cc1)OCF f4cb8d615168bcdadf75146c95560bbf [0,2,0,0,0,0|0,0,1]=3 1339 B13R1.77 O=CCCc1ccc(cc1)OCF 008470cc78d677be29b7766749413f65 [0,2,0,0,0,0|0,0,1]=3 1340 B13R1.77 O=CCNc1ccc(cc1)CCBr 1054f27e5805002414f582f94439fdce [0,2,0,0,0,0|2,0,0]=4 1341 B13R1.77 O=CCNc1ccc(cc1)CCO 757f9d4bb110566b63eb1020efe3abf5 [0,2,0,0,0,0|2,0,0]=4 1342 B13R1.77 O=CCNc1ccc(cc1)OCF 954a5bee98f720d6bc5935ac4e9e14ba [0,2,0,0,0,0|1,0,0]=3 1343 B13R1.77 O=CCOc1ccc(cc1)CC=O 6bf0fc8188c488a7d490f2b6dac1b7b2 [0,2,0,0,0,0|1,0,0]=3 1344 B13R1.77 O=CCOc1ccc(cc1)CCF 9536aa5340c98e9e71478e20b283a0df [0,2,0,0,0,0|1,0,1]=4 1345 B13R1.77 O=CCOc1ccc(cc1)NC=O 1f79b314cb3f1bb0c5c4aafb27104745 [0,2,0,0,0,0|2,0,0]=4 1346 B13R1.77 O=CCc1ccc(cc1)NCCBr 6eff611c08199687e94a64dfa43cbf2d [0,2,0,0,0,0|2,0,0]=4 1347 B13R1.77 O=CCc1ccc(cc1)NCCF d13904bf7bf04ad1455e9a8660b6a34a [0,2,0,0,0,0|2,0,0]=4 1348 B13R1.77 O=CCc1ccc(cc1)NCCI 955e385762c9563549cb0f732a63e249 [0,2,0,0,0,0|2,0,0]=4 1349 B13R1.77 O=CCc1ccc(cc1)NCCO 292d4919a6b2a93c5cb2ef2a9894e35b [0,2,0,0,0,0|2,0,0]=4 1350 B13R1.77 O=CCc1ccc(cc1)NCCS f5f17fb6af5f019c35648b37d82af7c0 [0,2,0,0,0,0|2,0,0]=4 1351 B13R1.77 O=CCc1ccc(cc1)OCCF 8d102af81bb84b3d624cb3f68b8bf0ac [0,2,0,0,0,0|1,0,0]=3 1352 B13R1.77 O=CCc1ccc(cc1)OCCS 75a5137457336836215e1fb204a6cb23 [0,2,0,0,0,0|1,0,0]=3 1353 B13R1.77 O=CNCc1ccc(cc1)CCO 355b9df8f8f06a0ab82a4e85bf40aa51 [0,2,0,0,0,0|2,0,0]=4 1354 B13R1.77 O=CNc1ccc(cc1)OCCCl e9fd962bab7f44d825f896c108a3a761 [0,2,0,0,0,0|2,0,0]=4 1355 B13R1.77 O=CNc1ccc(cc1)OCCF 49bb97e949346c86acc01bbb58c42c1a [0,2,0,0,0,0|2,0,0]=4 1356 B13R1.77 O=CNc1ccc(cc1)OCCO a0357f6807696623eb7a8db6ec6dc84b [0,2,0,0,0,0|2,0,0]=4 1357 B13R1.77 O=CNc1ccc(cc1)OCCS bccca7feab52a1121f9b4bb79baaf08d [0,2,0,0,0,0|2,0,0]=4 1358 B13R1.77 OCCNc1ccc(cc1)OCF 96d356127005bb984bebb3ab4a212490 [0,2,0,0,0,0|1,0,1]=4 1359 B13R1.371 C#CCCNc1ccc(cc1)OC dfc9fd2b622c5229423e8e3c9e21b7b5 [0,2,0,0,0,0|0,0,2]=4 1360 B13R1.371 C#CCCOc1ccc(cc1)OC 5c431cb6153299ecc4f82e1f7ba27468 [0,2,0,0,0,0|0,0,2]=4 1361 B13R1.371 C#CCNCc1ccc(cc1)OC 02d1017554f245447ffb3245e03d05ce [0,2,0,0,0,0|0,0,2]=4 1362 B13R1.371 C#CCOCc1ccc(cc1)OC df45eed2ceadb022951466ac39a56d9e [0,2,0,0,0,0|0,0,2]=4 1363 B13R1.371 C#Cc1ccc(cc1)CNCC=C 28563113621568edec925dcefeb35ad7 [0,2,0,0,0,0|1,0,1]=4 1364 B13R1.371 C#Cc1ccc(cc1)COCC=C b78cc514246e30e8338814ed9004725d [0,2,0,0,0,0|1,0,1]=4 1365 B13R1.371 C#Cc1ccc(cc1)NC/C=C/C 7919e866b2d0d97df782769687d56ba5 [0,2,0,0,0,0|1,0,1]=4 1366 B13R1.371 C#Cc1ccc(cc1)NC/C=C/Cl 7330cb9c824d2bb8ee224f47341dfbaa [0,2,0,0,0,0|1,0,1]=4 1367 B13R1.371 C#Cc1ccc(cc1)NC/C=C\C 2123114d448a468d86bafef6863fe1a2 [0,2,0,0,0,0|1,0,1]=4 1368 B13R1.371 C#Cc1ccc(cc1)NC/C=C\Cl 449e01e8edb3de530337069e98d10bdb [0,2,0,0,0,0|1,0,1]=4 1369 B13R1.371 C#Cc1ccc(cc1)NC/C=C\O de355dac040b7492f400b3955b3b6848 [0,2,0,0,0,0|1,0,1]=4 1370 B13R1.371 C#Cc1ccc(cc1)NCCC=C 7ed8881fd0193f35eddc5f62b142c685 [0,2,0,0,0,0|1,0,1]=4 1371 B13R1.371 C#Cc1ccc(cc1)OC/C=C/C 7538d693f705aeb974ccdd977dfa0f6c [0,2,0,0,0,0|1,0,1]=4 1372 B13R1.371 C#Cc1ccc(cc1)OC/C=C/Cl b2361fadcf076207dac85c1d6fb5668c [0,2,0,0,0,0|1,0,1]=4 1373 B13R1.371 C#Cc1ccc(cc1)OC/C=C\C 97edc546c1e354256679b2e28513d6cc [0,2,0,0,0,0|1,0,1]=4 1374 B13R1.371 C#Cc1ccc(cc1)OC/C=C\Cl 12b4593a69d243ae03193d65f68b2075 [0,2,0,0,0,0|1,0,1]=4 1375 B13R1.371 C#Cc1ccc(cc1)OCCC=C 863dd6bc80c49b0337245efabf25eef1 [0,2,0,0,0,0|1,0,1]=4 1376 B13R1.371 C/C=C/CNc1ccc(cc1)C#N eed70c205a8c3f7dbb08ca38bbb1a145 [0,2,0,0,0,0|2,0,0]=4 1377 B13R1.371 C/C=C/CNc1ccc(cc1)C=O 74a7db74685635cb545a03f91fcde42f [0,2,0,0,0,0|2,0,0]=4 1378 B13R1.371 C/C=C/CNc1ccc(cc1)CC 55f3087713ee30a330d4cb5231cbb245 [0,2,0,0,0,0|1,0,0]=3 1379 B13R1.371 C/C=C/CNc1ccc(cc1)CO 87d6cfbd242f1f93558c15cd509744a5 [0,2,0,0,0,0|2,0,0]=4 1380 B13R1.371 C/C=C/CNc1ccc(cc1)OC 57467d5ed05ffe1f2000a8cd9eface55 [0,2,0,0,0,0|0,0,0]=2 1381 B13R1.371 C/C=C/CNc1ccc(cc1)SC c6d65d2417578b2cd8cb29ec0a92d422 [0,2,0,0,0,0|0,1,0]=3 1382 B13R1.371 C/C=C/CNc1ccc(cn1)CC e57a3d857b8df777fa8a2622ef59a759 [0,2,0,0,0,0|2,0,0]=4 1383 B13R1.371 C/C=C/CNc1ccc(cn1)OC 7361429fb801dff62ac496655a47c9f3 [0,2,0,0,0,0|1,0,0]=3 1384 B13R1.371 C/C=C/CNc1ccc(cn1)SC 8c8645f028d1bb066ae65a219142913c [0,2,0,0,0,0|1,1,0]=4 1385 B13R1.371 C/C=C/CNc1ccc(nc1)CC ec16c05774755d8c93213164c636828d [0,2,0,0,0,0|2,0,0]=4 1386 B13R1.371 C/C=C/CNc1ccc(nc1)OC 5139d79a7d9e36573f69e55c17e9bb6c [0,2,0,0,0,0|1,0,0]=3 1387 B13R1.371 C/C=C/CNc1ccc(nc1)SC 9cac14b5b9c5c4ef5991efedc66b4049 [0,2,0,0,0,0|1,1,0]=4 1388 B13R1.371 C/C=C/CNc1ccc(nn1)OC 514792ca0d076a4edca4ac75bbc0a8b5 [0,2,0,0,0,0|2,0,0]=4 1389 B13R1.371 C/C=C/CNc1cnc(cn1)OC cfe9386fa1ec15a39ea50a4cf1e71fa0 [0,2,0,0,0,0|2,0,0]=4 1390 B13R1.371 C/C=C/CNc1cnc(nc1)OC 900068eec8e4b4b38f22a428611ad12b [0,2,0,0,0,0|2,0,0]=4 1391 B13R1.371 C/C=C/CNc1ncc(cn1)OC 0917544488cb91efe77cf5c701084b64 [0,2,0,0,0,0|2,0,0]=4 1392 B13R1.371 C/C=C/COc1ccc(cc1)C#N 66f9ff36faa2bccaca40643030359f9b [0,2,0,0,0,0|2,0,0]=4 1393 B13R1.371 C/C=C/COc1ccc(cc1)C=O c8dcc6d0de4908882b588b052084f5ac [0,2,0,0,0,0|2,0,0]=4 1394 B13R1.371 C/C=C/COc1ccc(cc1)CC 798f718f017f089ac24bfdbfe2e8d48c [0,2,0,0,0,0|1,0,0]=3 1395 B13R1.371 C/C=C/COc1ccc(cc1)N=O 34e908ba927e1912005b648db24b0d17 [0,2,0,0,0,0|2,0,0]=4 1396 B13R1.371 C/C=C/COc1ccc(cc1)OC 3cb73a84caeb8c146e58c4fc6249eb9a [0,2,0,0,0,0|0,0,0]=2 1397 B13R1.371 C/C=C/COc1ccc(cc1)SC a893ea71a09f2948e4ea1739357776f5 [0,2,0,0,0,0|0,1,0]=3 1398 B13R1.371 C/C=C/COc1ccc(cn1)CC aea8b14c4ef656702606a382ee657b3e [0,2,0,0,0,0|2,0,0]=4 1399 B13R1.371 C/C=C/COc1ccc(cn1)OC 4c77ef7dfaee5539f573e3bf0c1a16e3 [0,2,0,0,0,0|1,0,0]=3 1400 B13R1.371 C/C=C/COc1ccc(nc1)OC 3105fb2980e6f1d24c6a122640ab2c02 [0,2,0,0,0,0|1,0,0]=3 1401 B13R1.371 C/C=C/COc1ccc(nc1)SC f0d6ce4b551a3041d27879615fc5e87e [0,2,0,0,0,0|1,1,0]=4 1402 B13R1.371 C/C=C/COc1cnc(nc1)OC 2ebe0794321b11a38f073bce89f0fe7d [0,2,0,0,0,0|2,0,0]=4 1403 B13R1.371 C/C=C\CNc1ccc(cc1)C#N 86597858944056422bd82d3ac9ca7b06 [0,2,0,0,0,0|2,0,0]=4 1404 B13R1.371 C/C=C\CNc1ccc(cc1)C=O 3cf38fb7649289cc9dbdf137e3458fab [0,2,0,0,0,0|2,0,0]=4 1405 B13R1.371 C/C=C\CNc1ccc(cc1)CC d1e9d98098b6dea93116118602cec74a [0,2,0,0,0,0|1,0,0]=3 1406 B13R1.371 C/C=C\CNc1ccc(cc1)CO 4be34bdf7dc823cf762042a716461532 [0,2,0,0,0,0|2,0,0]=4 1407 B13R1.371 C/C=C\CNc1ccc(cc1)OC 16d207d7c4cfc696b1e57d8b0cfb9dab [0,2,0,0,0,0|0,0,0]=2 1408 B13R1.371 C/C=C\CNc1ccc(cc1)SC c6f6614fdcadb652af1aacfc17462da9 [0,2,0,0,0,0|0,1,0]=3 1409 B13R1.371 C/C=C\CNc1ccc(cn1)CC 2d9ed2d392cf2277b49be0a77382a374 [0,2,0,0,0,0|2,0,0]=4 1410 B13R1.371 C/C=C\CNc1ccc(cn1)OC 70382bad185f9734da4a2def6fbc271b [0,2,0,0,0,0|1,0,0]=3 1411 B13R1.371 C/C=C\CNc1ccc(cn1)SC dc77013b2e82b374ba362695c5254034 [0,2,0,0,0,0|1,1,0]=4 1412 B13R1.371 C/C=C\CNc1ccc(nc1)CC ac7643ccd4be1e5257ad50c850eae456 [0,2,0,0,0,0|2,0,0]=4 1413 B13R1.371 C/C=C\CNc1ccc(nc1)OC 92ac1754271a80a1c83310222c105dba [0,2,0,0,0,0|1,0,0]=3 1414 B13R1.371 C/C=C\CNc1ccc(nc1)SC 7d4fd5e9429d0e7634a246f16e95d7c5 [0,2,0,0,0,0|1,1,0]=4 1415 B13R1.371 C/C=C\CNc1ccc(nn1)OC 5490af5b591a69b475e5503d9fda9031 [0,2,0,0,0,0|2,0,0]=4 1416 B13R1.371 C/C=C\CNc1cnc(cn1)OC b917db80bdd53fa54537f1ba9c3c3512 [0,2,0,0,0,0|2,0,0]=4 1417 B13R1.371 C/C=C\CNc1cnc(nc1)OC f724cb73c165cdc8fc172b4670354247 [0,2,0,0,0,0|2,0,0]=4 1418 B13R1.371 C/C=C\CNc1ncc(cn1)OC 5fd9a24674405f64f855082bff849088 [0,2,0,0,0,0|2,0,0]=4 1419 B13R1.371 C/C=C\COc1ccc(cc1)C#N cf954238fd6de386658c35362002566a [0,2,0,0,0,0|2,0,0]=4 1420 B13R1.371 C/C=C\COc1ccc(cc1)C=O 6a2e168aca4898d03e101fa2629d9164 [0,2,0,0,0,0|2,0,0]=4 1421 B13R1.371 C/C=C\COc1ccc(cc1)CC 4c435d6762983a867a77ac735da25989 [0,2,0,0,0,0|1,0,0]=3 1422 B13R1.371 C/C=C\COc1ccc(cc1)N=O 614fb079520f8119ffdacdb51f6427b7 [0,2,0,0,0,0|2,0,0]=4 1423 B13R1.371 C/C=C\COc1ccc(cc1)OC f6e6fdd6e19bba806efb2abbd5527b87 [0,2,0,0,0,0|0,0,0]=2 1424 B13R1.371 C/C=C\COc1ccc(cc1)SC dd52878224386487589c7e345ca1950e [0,2,0,0,0,0|0,1,0]=3 1425 B13R1.371 C/C=C\COc1ccc(cn1)CC 25db8e494e16267964dff46db933e6d1 [0,2,0,0,0,0|2,0,0]=4 1426 B13R1.371 C/C=C\COc1ccc(cn1)OC ef644e7617b3c80a955612274e71e1e2 [0,2,0,0,0,0|1,0,0]=3 1427 B13R1.371 C/C=C\COc1ccc(nc1)OC 952f3bae910dab8b4a4310056fad9192 [0,2,0,0,0,0|1,0,0]=3 1428 B13R1.371 C/C=C\COc1ccc(nc1)SC 9ffb8d14297b8128e4988ce84b5ffe70 [0,2,0,0,0,0|1,1,0]=4 1429 B13R1.371 C/C=C\COc1cnc(nc1)OC f84e0660e28526785f0f14b90fe3a40c [0,2,0,0,0,0|2,0,0]=4 1430 B13R1.371 C=CCCNc1ccc(cc1)C#N 81f1357f3fce5f2a7aeda6c0ed7d1f07 [0,2,0,0,0,0|2,0,0]=4 1431 B13R1.371 C=CCCNc1ccc(cc1)C=C b5e763cc999685c73ee09580ea2adc86 [0,2,0,0,0,0|1,0,1]=4 1432 B13R1.371 C=CCCNc1ccc(cc1)C=O b63efafdc45f70ba680f2cf7e0f5be45 [0,2,0,0,0,0|2,0,0]=4 1433 B13R1.371 C=CCCNc1ccc(cc1)CC aa83cf5a975c00477e7eaac8c59c4324 [0,2,0,0,0,0|1,0,0]=3 1434 B13R1.371 C=CCCNc1ccc(cc1)CF 774ef77c34e5527e5e4ab1ca9f06875b [0,2,0,0,0,0|2,0,0]=4 1435 B13R1.371 C=CCCNc1ccc(cc1)CO b0aff22d5e1d4f9a14bda188bbaa13ad [0,2,0,0,0,0|2,0,0]=4 1436 B13R1.371 C=CCCNc1ccc(cc1)CS 78e9db8e91612b7f780f31def932b609 [0,2,0,0,0,0|2,0,0]=4 1437 B13R1.371 C=CCCNc1ccc(cc1)NO 8cb0d4d04cb1554152bdd5d490ac686a [0,2,0,0,0,0|2,0,0]=4 1438 B13R1.371 C=CCCNc1ccc(cc1)OC 286c0f11920a74ffbff9aef6772b567a [0,2,0,0,0,0|0,0,0]=2 1439 B13R1.371 C=CCCNc1ccc(cc1)SC 6cf2069a199d886c74b48f4810388a26 [0,2,0,0,0,0|0,1,0]=3 1440 B13R1.371 C=CCCNc1ccc(cn1)CC 848a3d37b172f4ad5b4a39db4215189f [0,2,0,0,0,0|2,0,0]=4 1441 B13R1.371 C=CCCNc1ccc(cn1)OC 61f13eabe8a4767eb8233fd7ebb491b6 [0,2,0,0,0,0|1,0,0]=3 1442 B13R1.371 C=CCCNc1ccc(cn1)SC eb8018ace6f61a0ec64ded1badae21e8 [0,2,0,0,0,0|1,1,0]=4 1443 B13R1.371 C=CCCNc1ccc(nc1)CC ab14a6866889fb0e53459afb1f790c74 [0,2,0,0,0,0|2,0,0]=4 1444 B13R1.371 C=CCCNc1ccc(nc1)OC db74d4bbff8ca1f3fa67c3a3b2579417 [0,2,0,0,0,0|1,0,0]=3 1445 B13R1.371 C=CCCNc1ccc(nc1)SC f0817f0aa3ef5808b6b71932f78baf50 [0,2,0,0,0,0|1,1,0]=4 1446 B13R1.371 C=CCCNc1ccc(nn1)OC 3bb8b6543e9611a9f1a0558f648d9577 [0,2,0,0,0,0|2,0,0]=4 1447 B13R1.371 C=CCCNc1cnc(cn1)OC dc08455dc12a26376ea1c5876cef848b [0,2,0,0,0,0|2,0,0]=4 1448 B13R1.371 C=CCCNc1cnc(nc1)OC 74c2da50c86ff14f2e848b65cff6af6f [0,2,0,0,0,0|2,0,0]=4 1449 B13R1.371 C=CCCNc1ncc(cn1)OC 0660b4053cfe6cd499f03d32898005a2 [0,2,0,0,0,0|2,0,0]=4 1450 B13R1.371 C=CCCOc1ccc(cc1)C#N 1fd389643b04bd5e3021ad975fbe5167 [0,2,0,0,0,0|2,0,0]=4 1451 B13R1.371 C=CCCOc1ccc(cc1)C=C 79634185b4743bd5b7af2f4d62e5ee58 [0,2,0,0,0,0|1,0,1]=4 1452 B13R1.371 C=CCCOc1ccc(cc1)C=O 3274651132e1c551a7326c228c50b0da [0,2,0,0,0,0|2,0,0]=4 1453 B13R1.371 C=CCCOc1ccc(cc1)CC efe2c781f703fbf70b0146228993298e [0,2,0,0,0,0|1,0,0]=3 1454 B13R1.371 C=CCCOc1ccc(cc1)N=O 756266708b88cae55ce71df27432369c [0,2,0,0,0,0|2,0,0]=4 1455 B13R1.371 C=CCCOc1ccc(cc1)OC ecbbc4943e95e819e16004288661d67e [0,2,0,0,0,0|0,0,0]=2 1456 B13R1.371 C=CCCOc1ccc(cc1)SC 7b4dd72908afd556a709088b01451242 [0,2,0,0,0,0|0,1,0]=3 1457 B13R1.371 C=CCCOc1ccc(cn1)CC f0ce1e41220b239c4fe4bdbee0b1cfe6 [0,2,0,0,0,0|2,0,0]=4 1458 B13R1.371 C=CCCOc1ccc(cn1)OC 83284a2a534af3d5ac45653baa30fa47 [0,2,0,0,0,0|1,0,0]=3 1459 B13R1.371 C=CCCOc1ccc(nc1)OC a224a2ec82ea9674ef4ad7c3f0b35701 [0,2,0,0,0,0|1,0,0]=3 1460 B13R1.371 C=CCCOc1ccc(nc1)SC ddcf572f622b9692602cb0afd29bc4ec [0,2,0,0,0,0|1,1,0]=4 1461 B13R1.371 C=CCCOc1cnc(nc1)OC 83a5b3c055f586995c6e45defdfc64a2 [0,2,0,0,0,0|2,0,0]=4 1462 B13R1.371 C=CCNCc1ccc(cc1)C#N 09f2f1405156fd8c1a51cad00b8128b0 [0,2,0,0,0,0|2,0,0]=4 1463 B13R1.371 C=CCNCc1ccc(cc1)C=C bcfd42f005dffd49cbec79cd39fe9654 [0,2,0,0,0,0|1,0,1]=4 1464 B13R1.371 C=CCNCc1ccc(cc1)CBr dd4341709e2a307fe1663cadae7b89fc [0,2,0,0,0,0|2,0,0]=4 1465 B13R1.371 C=CCNCc1ccc(cc1)CC c230b4c55d7f701167ff892f7b17a54a [0,2,0,0,0,0|1,0,0]=3 1466 B13R1.371 C=CCNCc1ccc(cc1)CO 14b6897dff229c9e5cdd1969f8360a51 [0,2,0,0,0,0|2,0,0]=4 1467 B13R1.371 C=CCNCc1ccc(cc1)OC d06880f103eb89b989aa594b311c5c06 [0,2,0,0,0,0|0,0,0]=2 1468 B13R1.371 C=CCNCc1ccc(cc1)SC 18bb70bf1dfd704514688965d85b0a2f [0,2,0,0,0,0|0,1,0]=3 1469 B13R1.371 C=CCNCc1ccc(cn1)OC 15cb14f2feea88538e6f809a38cec0a6 [0,2,0,0,0,0|1,0,0]=3 1470 B13R1.371 C=CCNCc1ccc(nc1)OC bb23550e95dd64e2d2432475b685b578 [0,2,0,0,0,0|1,0,0]=3 1471 B13R1.371 C=CCNCc1ccc(nn1)OC 81f8088f8447993c2d3e15a902b933f2 [0,2,0,0,0,0|2,0,0]=4 1472 B13R1.371 C=CCNCc1cnc(nc1)OC a550241877d422189607c10ebbe814ac [0,2,0,0,0,0|2,0,0]=4 1473 B13R1.371 C=CCOCc1ccc(cc1)C#N 2cb0674f5ef7d9b9830d5e2fbd63c324 [0,2,0,0,0,0|2,0,0]=4 1474 B13R1.371 C=CCOCc1ccc(cc1)C=C 5974a1d70c3051e29b95ef2cfc672aa2 [0,2,0,0,0,0|1,0,1]=4 1475 B13R1.371 C=CCOCc1ccc(cc1)C=O 0345f1a4dfbe15e093f610aa4407c003 [0,2,0,0,0,0|2,0,0]=4 1476 B13R1.371 C=CCOCc1ccc(cc1)CC 3d024585504aefc4d1571a43ac50835b [0,2,0,0,0,0|1,0,0]=3 1477 B13R1.371 C=CCOCc1ccc(cc1)OC 661fac4e7f944ff85e6a8a04cf06c4fb [0,2,0,0,0,0|0,0,0]=2 1478 B13R1.371 C=CCOCc1ccc(cc1)SC babc9f38347d9b6820c83e14e82dd5a9 [0,2,0,0,0,0|0,1,0]=3 1479 B13R1.371 C=CCOCc1ccc(cn1)CC 21c88f8cced3de1104f6c3ce841a7fc3 [0,2,0,0,0,0|2,0,0]=4 1480 B13R1.371 C=CCOCc1ccc(cn1)OC 93ace433312807766aa3ebfc9552d8ed [0,2,0,0,0,0|1,0,0]=3 1481 B13R1.371 C=CCOCc1ccc(nc1)OC ade9e5123c09a6c445dae7f10fa8cb01 [0,2,0,0,0,0|1,0,0]=3 1482 B13R1.371 C=CCOCc1ccc(nc1)SC dd14c88d0ec253dc794d05fc7e482d97 [0,2,0,0,0,0|1,1,0]=4 1483 B13R1.371 C=CCOCc1ccc(nn1)OC 90b836f8b8d2c82cbdc8576911237543 [0,2,0,0,0,0|2,0,0]=4 1484 B13R1.371 C=CCOCc1cnc(cn1)OC 4a785714e7733e3967b66037a2a1a9cf [0,2,0,0,0,0|2,0,0]=4 1485 B13R1.371 C=CCOCc1cnc(nc1)OC 110d901947a91b020b9d49dff22b9ec6 [0,2,0,0,0,0|2,0,0]=4 1486 B13R1.371 C=CCOCc1ncc(cn1)OC 6c9afea6679fd4b709cfbce2e9c02891 [0,2,0,0,0,0|2,0,0]=4 1487 B13R1.371 C=Cc1ccc(cc1)NC/C=C/C 2e99aec7d0e7496e4285643cbed6cf73 [0,2,0,0,0,0|1,0,1]=4 1488 B13R1.371 C=Cc1ccc(cc1)NC/C=C/Cl 28058c59fd8ba99290090a90226250ff [0,2,0,0,0,0|1,0,1]=4 1489 B13R1.371 C=Cc1ccc(cc1)NC/C=C\C 74c069c7812f08f603fc6a24a6322650 [0,2,0,0,0,0|1,0,1]=4 1490 B13R1.371 C=Cc1ccc(cc1)NC/C=C\Cl 96ee892abff2dd2219a3a16f007545d1 [0,2,0,0,0,0|1,0,1]=4 1491 B13R1.371 C=Cc1ccc(cc1)NC/C=C\O 7a6ed2b61e86c31f933cdb3b9de722a6 [0,2,0,0,0,0|1,0,1]=4 1492 B13R1.371 C=Cc1ccc(cc1)NCC=CC b628dcd2b7791bdd748d94ca7f553ab9 [0,2,0,0,0,0|1,0,1]=4 1493 B13R1.371 C=Cc1ccc(cc1)OC/C=C/C 9d09e3a4df4447636e3feba67897d486 [0,2,0,0,0,0|1,0,1]=4 1494 B13R1.371 C=Cc1ccc(cc1)OC/C=C/Cl ddc16c071cc07e5ed0d0dd75841c2870 [0,2,0,0,0,0|1,0,1]=4 1495 B13R1.371 C=Cc1ccc(cc1)OC/C=C\C be281421d1d0cd748f96bf2750a9ba73 [0,2,0,0,0,0|1,0,1]=4 1496 B13R1.371 C=Cc1ccc(cc1)OC/C=C\Cl 19b0b0b7dd9133dce066a4291fe7f7bd [0,2,0,0,0,0|1,0,1]=4 1497 B13R1.371 CC=CCNc1ccc(cc1)C#N 389cdd251271264f87c44b0a3829a45c [0,2,0,0,0,0|2,0,0]=4 1498 B13R1.371 CC=CCNc1ccc(cc1)C=O b55ceed50969077f5a1dee2888199a1e [0,2,0,0,0,0|2,0,0]=4 1499 B13R1.371 CC=CCNc1ccc(cc1)CC f1ee4b7eb0e6abc23324dfa665fadb58 [0,2,0,0,0,0|1,0,0]=3 1500 B13R1.371 CC=CCNc1ccc(cc1)CF d531f830a8108d01bd9a74e786135285 [0,2,0,0,0,0|2,0,0]=4 1501 B13R1.371 CC=CCNc1ccc(cc1)CO 8bc15e15a6d24ee408750e158f6c210f [0,2,0,0,0,0|2,0,0]=4 1502 B13R1.371 CC=CCNc1ccc(cc1)CS 2db9a419cee65338cf6f3fa8999feb71 [0,2,0,0,0,0|2,0,0]=4 1503 B13R1.371 CC=CCNc1ccc(cc1)NO e64e04b912c07ce790e47776e66c8509 [0,2,0,0,0,0|2,0,0]=4 1504 B13R1.371 CC=CCNc1ccc(cc1)OC 8d019e487db297b57f5ecd56fae26509 [0,2,0,0,0,0|0,0,0]=2 1505 B13R1.371 CC=CCNc1ccc(cc1)SC 6f125224b0cef0583ae8e9b0f8700e73 [0,2,0,0,0,0|0,1,0]=3 1506 B13R1.371 CC=CCNc1ccc(cn1)CC aeee47dec030c15a3ae9427431eff6ab [0,2,0,0,0,0|2,0,0]=4 1507 B13R1.371 CC=CCNc1ccc(cn1)OC d7366cadf3e3115ee3b07917801c003e [0,2,0,0,0,0|1,0,0]=3 1508 B13R1.371 CC=CCNc1ccc(nc1)CC 4dd01482f4f6c9bad236ab84bc3b52cf [0,2,0,0,0,0|2,0,0]=4 1509 B13R1.371 CC=CCNc1ccc(nc1)OC 603ddc6debe326a3a37ee12b68c63b85 [0,2,0,0,0,0|1,0,0]=3 1510 B13R1.371 CC=CCNc1ccc(nc1)SC 95d7e0d37cba528c5368a63ab1681bd1 [0,2,0,0,0,0|1,1,0]=4 1511 B13R1.371 CC=CCNc1ccc(nn1)OC d97408620aecca247b06508324a1af3f [0,2,0,0,0,0|2,0,0]=4 1512 B13R1.371 CC=CCNc1cnc(cn1)OC ae70c324540a4bf43a4bcb864562fd71 [0,2,0,0,0,0|2,0,0]=4 1513 B13R1.371 CC=CCNc1cnc(nc1)OC eca9d16dc6213148081676537ae323b9 [0,2,0,0,0,0|2,0,0]=4 1514 B13R1.371 CC=CCNc1ncc(cn1)OC 842baf97f8c90d34a23a00a60dfce0b4 [0,2,0,0,0,0|2,0,0]=4 1515 B13R1.371 CCCCNc1ccc(cc1)OC 4c9e081eedabd83ca3bc230f5fa36b9a [0,2,0,0,0,0|0,0,2]=4 1516 B13R1.371 CCCCOc1ccc(cc1)OC 52400da5c0e7bccc480c16cdbb9df2b2 [0,2,0,0,0,0|0,0,2]=4 1517 B13R1.371 CCCNCc1ccc(cc1)OC 8f3d294b1bdf463b123dba3a4ef2703a [0,2,0,0,0,0|0,0,2]=4 1518 B13R1.371 CCCOCc1ccc(cc1)OC 606a55e8f1c25ebc8acf7a643c0903b2 [0,2,0,0,0,0|0,0,2]=4 1519 B13R1.371 CCNCCc1ccc(cc1)OC 7695aaace8339270489524332b2c5bd7 [0,2,0,0,0,0|0,0,2]=4 1520 B13R1.371 CCOCCc1ccc(cc1)OC 8a11d2af9f0deaf1e16b62be209b1bc6 [0,2,0,0,0,0|0,0,2]=4 1521 B13R1.371 CCOCNc1ccc(cc1)OC 0c80b59097eefc22fac047ac9aee7e73 [0,2,0,0,0,0|0,0,2]=4 1522 B13R1.371 CCOCOc1ccc(cc1)OC adf742897cd134d1086cde0ceba8c60d [0,2,0,0,0,0|0,0,2]=4 1523 B13R1.371 CCc1ccc(cc1)CCNC=O 6edf1e12fc3db0508492f54a7a5151be [0,2,0,0,0,0|1,0,1]=4 1524 B13R1.371 CCc1ccc(cc1)CNCC=O 50c0356de454226e3a5b070b6bba27a9 [0,2,0,0,0,0|1,0,1]=4 1525 B13R1.371 CCc1ccc(cc1)COCC=O 1f85d9e344144795a4f7db43a173b837 [0,2,0,0,0,0|1,0,1]=4 1526 B13R1.371 CCc1ccc(cc1)NC/C=C/Cl 137239d7107ba98d8386b294b5451343 [0,2,0,0,0,0|1,0,0]=3 1527 B13R1.371 CCc1ccc(cc1)NC/C=C\Cl 35abf2620a89b499b40c93fa3180fae9 [0,2,0,0,0,0|1,0,0]=3 1528 B13R1.371 CCc1ccc(cc1)NC/C=C\O eb1d0919cc886a7631cbc944a37e7db2 [0,2,0,0,0,0|1,0,0]=3 1529 B13R1.371 CCc1ccc(cc1)NCCC=O a020a0dc330247517cbe5503372346ef [0,2,0,0,0,0|1,0,1]=4 1530 B13R1.371 CCc1ccc(cc1)OC/C=C/Cl 28b5295684e13a0b140220290f959fd9 [0,2,0,0,0,0|1,0,0]=3 1531 B13R1.371 CCc1ccc(cc1)OC/C=C\Cl ae3e1c92afeab8babd04036b309c9aac [0,2,0,0,0,0|1,0,0]=3 1532 B13R1.371 CCc1ccc(cc1)OCCC=O a2ade388fc5433ba64cd27dcbde75a15 [0,2,0,0,0,0|1,0,1]=4 1533 B13R1.371 CCc1ccc(cn1)NC/C=C/Cl 0a548ec893f7d9e59e9b994780733de1 [0,2,0,0,0,0|2,0,0]=4 1534 B13R1.371 CCc1ccc(cn1)NC/C=C\Cl d65141baa2a924ef56313d3b6d183f2c [0,2,0,0,0,0|2,0,0]=4 1535 B13R1.371 CCc1ccc(cn1)NC/C=C\O aa956bb49d073a276f394632c6b6801a [0,2,0,0,0,0|2,0,0]=4 1536 B13R1.371 CCc1ccc(nc1)NC/C=C/Cl 2c00d954ab1852464032a405ed192ad3 [0,2,0,0,0,0|2,0,0]=4 1537 B13R1.371 CCc1ccc(nc1)NC/C=C\Cl b16f707f5b8256958df11206442d963a [0,2,0,0,0,0|2,0,0]=4 1538 B13R1.371 CCc1ccc(nc1)NC/C=C\O 35a32a3249197628658bbecbfa538124 [0,2,0,0,0,0|2,0,0]=4 1539 B13R1.371 CCc1ccc(nc1)OC/C=C/Cl 6c3a83fdffa7ea462341f8e44050668f [0,2,0,0,0,0|2,0,0]=4 1540 B13R1.371 CCc1ccc(nc1)OC/C=C\Cl 0247719470476dd905f194f0a6b00259 [0,2,0,0,0,0|2,0,0]=4 1541 B13R1.371 COCCNc1ccc(cc1)OC a053130e8d291c3436c76e6d1284cb40 [0,2,0,0,0,0|0,0,2]=4 1542 B13R1.371 COCCOc1ccc(cc1)OC 081c91c9dbdbe331c94695285e05f78b [0,2,0,0,0,0|0,0,2]=4 1543 B13R1.371 COCNCc1ccc(cc1)OC 58ea0afc5ff99efbaf8c0796dc3dedd5 [0,2,0,0,0,0|0,0,2]=4 1544 B13R1.371 COCOCc1ccc(cc1)OC b12b452d2748f080458998e2edabc008 [0,2,0,0,0,0|0,0,2]=4 1545 B13R1.371 COc1ccc(cc1)CCNC#N d6434ad36bd5222577af88c765910781 [0,2,0,0,0,0|0,0,2]=4 1546 B13R1.371 COc1ccc(cc1)CCNC=O b7a9075d4c70eefe4df221be98559806 [0,2,0,0,0,0|0,0,1]=3 1547 B13R1.371 COc1ccc(cc1)CCNCF f895f2a2a75385e67752f9ad79de2c65 [0,2,0,0,0,0|0,0,2]=4 1548 B13R1.371 COc1ccc(cc1)CCNCO a0116c69941be9442042687c6c4b16a4 [0,2,0,0,0,0|0,0,2]=4 1549 B13R1.371 COc1ccc(cc1)CCOCF e99442ea78007289ed258813e79a875b [0,2,0,0,0,0|0,0,2]=4 1550 B13R1.371 COc1ccc(cc1)CNCC#N 15ff2b57ac07eb4fe1949df3491a07c1 [0,2,0,0,0,0|0,0,2]=4 1551 B13R1.371 COc1ccc(cc1)CNCC=O 5b947324b80455e344f903d50b0a2e70 [0,2,0,0,0,0|0,0,1]=3 1552 B13R1.371 COc1ccc(cc1)CNCCBr 99a1b5a1cc90e61a7aec73df74298fb3 [0,2,0,0,0,0|0,0,2]=4 1553 B13R1.371 COc1ccc(cc1)CNCCF 2cb7daa9563b06474dd89e6a4c0ab138 [0,2,0,0,0,0|0,0,2]=4 1554 B13R1.371 COc1ccc(cc1)CNCCI 45d71f95cf0f120de55fb282132652f0 [0,2,0,0,0,0|0,0,2]=4 1555 B13R1.371 COc1ccc(cc1)CNCCO d925e411d29bef401c8358d86ba0863a [0,2,0,0,0,0|0,0,2]=4 1556 B13R1.371 COc1ccc(cc1)CNCCS c437d3977496213372e813cf034e3925 [0,2,0,0,0,0|0,0,2]=4 1557 B13R1.371 COc1ccc(cc1)CNCSC f0a2a89b41fc29e09c26acfdb61f08c2 [0,2,0,0,0,0|0,0,2]=4 1558 B13R1.371 COc1ccc(cc1)COCC#N 184b09f2cb5e2dcf6b69b20c22323e01 [0,2,0,0,0,0|0,0,2]=4 1559 B13R1.371 COc1ccc(cc1)COCC=O 881f6ac9050ab0bb5771e064912b02c3 [0,2,0,0,0,0|0,0,1]=3 1560 B13R1.371 COc1ccc(cc1)COCCF 63b880fde60224d64ace68d903ba6485 [0,2,0,0,0,0|0,0,2]=4 1561 B13R1.371 COc1ccc(cc1)COCCS fdd1d79b3aa2eec5b838354b2e7f652a [0,2,0,0,0,0|0,0,2]=4 1562 B13R1.371 COc1ccc(cc1)COCSC da5de504d901a8cc8277e482aa84803b [0,2,0,0,0,0|0,0,2]=4 1563 B13R1.371 COc1ccc(cc1)NC/C=C/Cl e9297b37bb88b46ae3990e618aa94afc [0,2,0,0,0,0|0,0,0]=2 1564 B13R1.371 COc1ccc(cc1)NC/C=C\Cl ec83ebfb2d047ce0bc71f9ee55f909aa [0,2,0,0,0,0|0,0,0]=2 1565 B13R1.371 COc1ccc(cc1)NC/C=C\O 8056f59a72381fe55736485d11bcb988 [0,2,0,0,0,0|0,0,0]=2 1566 B13R1.371 COc1ccc(cc1)NCCC#N 0dde383a7fe097828c29a2a53a4a6217 [0,2,0,0,0,0|0,0,2]=4 1567 B13R1.371 COc1ccc(cc1)NCCC=O af71a0b1ffb4f7894579d4b564c39a40 [0,2,0,0,0,0|0,0,1]=3 1568 B13R1.371 COc1ccc(cc1)NCCCCl 8f2e2bc0830699bd6d83658624dcbef5 [0,2,0,0,0,0|0,0,2]=4 1569 B13R1.371 COc1ccc(cc1)NCCCF 6247da5e1d0ba0d8a187d4f76505e38e [0,2,0,0,0,0|0,0,2]=4 1570 B13R1.371 COc1ccc(cc1)NCCCO 30c4ad5f1341c51305350079662c43e6 [0,2,0,0,0,0|0,0,2]=4 1571 B13R1.371 COc1ccc(cc1)NCCCS f08d62e7b450b3511bd58e26feacacc3 [0,2,0,0,0,0|0,0,2]=4 1572 B13R1.371 COc1ccc(cc1)NCCON 551110cee9f4738f6a37c42f77a8faea [0,2,0,0,0,0|1,0,1]=4 1573 B13R1.371 COc1ccc(cc1)NCCSC e34b23ffef72925adbfbda94e0dc98ac [0,2,0,0,0,0|0,0,2]=4 1574 B13R1.371 COc1ccc(cc1)NCSC#N a6e8ed6f45af3eca6e139f2fd71e9211 [0,2,0,0,0,0|1,0,1]=4 1575 B13R1.371 COc1ccc(cc1)OC/C=C/Cl 73feb231ad570e999667fd3cb98036f1 [0,2,0,0,0,0|0,0,0]=2 1576 B13R1.371 COc1ccc(cc1)OC/C=C\Cl bb3e424c631f12acd7aa411a3f4ffae7 [0,2,0,0,0,0|0,0,0]=2 1577 B13R1.371 COc1ccc(cc1)OCCC#N 39832d6f40b826058ad3434107e1475c [0,2,0,0,0,0|0,0,2]=4 1578 B13R1.371 COc1ccc(cc1)OCCC=O a3ebe964beab952f2681d47fef4b6f4f [0,2,0,0,0,0|0,0,1]=3 1579 B13R1.371 COc1ccc(cc1)OCCCF 551b68db9adef373a0394d1687f019d1 [0,2,0,0,0,0|0,0,2]=4 1580 B13R1.371 COc1ccc(cc1)OCCCS 4993d43a482a893eaeea0ae231773078 [0,2,0,0,0,0|0,0,2]=4 1581 B13R1.371 COc1ccc(cc1)OCCSC 97891ac234566bfc17a8352fd06fda1e [0,2,0,0,0,0|0,0,2]=4 1582 B13R1.371 COc1ccc(cc1)OCSC#N 4628625be14b8ca1337d01550910dfd3 [0,2,0,0,0,0|1,0,1]=4 1583 B13R1.371 COc1ccc(cn1)CCNC=O 0b0d14e56b341f5338cc01c615dae776 [0,2,0,0,0,0|1,0,1]=4 1584 B13R1.371 COc1ccc(cn1)CNCC=O 2d10997d8aa761fb6d01449936247b32 [0,2,0,0,0,0|1,0,1]=4 1585 B13R1.371 COc1ccc(cn1)COCC=O 84643f02b7b60ef372bdb10200cde113 [0,2,0,0,0,0|1,0,1]=4 1586 B13R1.371 COc1ccc(cn1)NC/C=C/Cl 839a36f78ddf372c3334be0b5fb2f1c8 [0,2,0,0,0,0|1,0,0]=3 1587 B13R1.371 COc1ccc(cn1)NC/C=C\Cl d5a30c8a2532c09d9a1d9f0eb7dc158d [0,2,0,0,0,0|1,0,0]=3 1588 B13R1.371 COc1ccc(cn1)NC/C=C\O d875b0c325986c45b6ded322c9683b87 [0,2,0,0,0,0|1,0,0]=3 1589 B13R1.371 COc1ccc(cn1)NCCC=O b0ee2dbca0d69a684ecc78eecea50109 [0,2,0,0,0,0|1,0,1]=4 1590 B13R1.371 COc1ccc(cn1)OC/C=C/Cl 0dbaac5f873ca0492822929f163206fa [0,2,0,0,0,0|1,0,0]=3 1591 B13R1.371 COc1ccc(cn1)OC/C=C\Cl 8f37ba458c708b1e0064030fbcc0089c [0,2,0,0,0,0|1,0,0]=3 1592 B13R1.371 COc1ccc(cn1)OCCC=O 47a6c225327e6f1e6a1a877365ec6022 [0,2,0,0,0,0|1,0,1]=4 1593 B13R1.371 COc1ccc(nc1)CNCC=O f6fe112e52ebf8a0ab2d52282e6f7b6a [0,2,0,0,0,0|1,0,1]=4 1594 B13R1.371 COc1ccc(nc1)COCC=O c0c999dd3c23017e69b72895f2ec1603 [0,2,0,0,0,0|1,0,1]=4 1595 B13R1.371 COc1ccc(nc1)NC/C=C/Cl 4c0584d28dd2398960d54577de41e164 [0,2,0,0,0,0|1,0,0]=3 1596 B13R1.371 COc1ccc(nc1)NC/C=C\Cl 8ddecff4706f44d9d13e8a701f019ce9 [0,2,0,0,0,0|1,0,0]=3 1597 B13R1.371 COc1ccc(nc1)NC/C=C\O 97acd03e56933000f06f078809ef4c22 [0,2,0,0,0,0|1,0,0]=3 1598 B13R1.371 COc1ccc(nc1)NCCC=O 79bd06d1b854d1db54b1bc4f6d32653c [0,2,0,0,0,0|1,0,1]=4 1599 B13R1.371 COc1ccc(nc1)OC/C=C/Cl a07dfb4cd1b35dc52247230715b167b9 [0,2,0,0,0,0|1,0,0]=3 1600 B13R1.371 COc1ccc(nc1)OC/C=C\Cl 02f88e356a0378487728565f61c5699b [0,2,0,0,0,0|1,0,0]=3 1601 B13R1.371 COc1ccc(nc1)OCCC=O c9db6630db0c48b93e2efda7808f797b [0,2,0,0,0,0|1,0,1]=4 1602 B13R1.371 COc1ccc(nn1)NC/C=C/Cl 1bbdc1402209011a8f0dfda7dd6b7df8 [0,2,0,0,0,0|2,0,0]=4 1603 B13R1.371 COc1ccc(nn1)NC/C=C\Cl 09e9d98e2c599036d07da5c8aefdb799 [0,2,0,0,0,0|2,0,0]=4 1604 B13R1.371 COc1ccc(nn1)NC/C=C\O c12126b832b04176d1fc2652de971456 [0,2,0,0,0,0|2,0,0]=4 1605 B13R1.371 COc1cnc(cn1)NC/C=C/Cl 8d74855db9bfb4269ecbc297f51bd6db [0,2,0,0,0,0|2,0,0]=4 1606 B13R1.371 COc1cnc(cn1)NC/C=C\Cl e45086a6a7a3ff9a137244fdd44a99f0 [0,2,0,0,0,0|2,0,0]=4 1607 B13R1.371 COc1cnc(cn1)NC/C=C\O b70ec8b2c61c854ec1923d91c3f8a053 [0,2,0,0,0,0|2,0,0]=4 1608 B13R1.371 COc1cnc(nc1)NC/C=C/Cl e8bd6ec267abf20eef0f1b5f35b66b85 [0,2,0,0,0,0|2,0,0]=4 1609 B13R1.371 COc1cnc(nc1)NC/C=C\Cl e3e2eebf5c868ee58cbbbbc8d2e649e3 [0,2,0,0,0,0|2,0,0]=4 1610 B13R1.371 COc1cnc(nc1)NC/C=C\O 06b3afe298fdd1712849749eddd3ea45 [0,2,0,0,0,0|2,0,0]=4 1611 B13R1.371 COc1ncc(cn1)NC/C=C/Cl c57a1049f116b0944d848537925f8600 [0,2,0,0,0,0|2,0,0]=4 1612 B13R1.371 COc1ncc(cn1)NC/C=C\Cl 795e641947bf23e501971f35ece68ddc [0,2,0,0,0,0|2,0,0]=4 1613 B13R1.371 COc1ncc(cn1)NC/C=C\O 3c5b5a8f2470a68189d23e16c1ec8f36 [0,2,0,0,0,0|2,0,0]=4 1614 B13R1.371 COc1ncc(cn1)OC/C=C/Cl 92fd9f2f44c41a190c0ee97932757c0c [0,2,0,0,0,0|2,0,0]=4 1615 B13R1.371 COc1ncc(cn1)OC/C=C\Cl ad2453ba48a3b6b4a564e2e59dd148aa [0,2,0,0,0,0|2,0,0]=4 1616 B13R1.371 CSc1ccc(cc1)CNCC=O 54af4076f0d4bd9f27daf42f078b4f4d [0,2,0,0,0,0|0,1,1]=4 1617 B13R1.371 CSc1ccc(cc1)COCC=O ccb016cea9308b2e0b9cb0db51f1d74c [0,2,0,0,0,0|0,1,1]=4 1618 B13R1.371 CSc1ccc(cc1)NC/C=C/Cl 82cc39203a26312ec3a89f5db7f2a47c [0,2,0,0,0,0|0,1,0]=3 1619 B13R1.371 CSc1ccc(cc1)NC/C=C\Cl a09a213feb9e47ec801248227336a0cf [0,2,0,0,0,0|0,1,0]=3 1620 B13R1.371 CSc1ccc(cc1)NC/C=C\O 8378dea95f1912cf7a0bf079352fef6a [0,2,0,0,0,0|0,1,0]=3 1621 B13R1.371 CSc1ccc(cc1)NCCC=O e21831feaf65ce63a10037d9ce32a40d [0,2,0,0,0,0|0,1,1]=4 1622 B13R1.371 CSc1ccc(cc1)OC/C=C/Cl f861c917b465776375cf019247140598 [0,2,0,0,0,0|0,1,0]=3 1623 B13R1.371 CSc1ccc(cc1)OC/C=C\Cl da82c705e4aace744563d4e7be64c647 [0,2,0,0,0,0|0,1,0]=3 1624 B13R1.371 CSc1ccc(cc1)OCCC=O 8c03ff4be02cce3adb47fdc547be1c7e [0,2,0,0,0,0|0,1,1]=4 1625 B13R1.371 CSc1ccc(cn1)NC/C=C/Cl ab2d66b8f8bb309f1d263fad0543a7b2 [0,2,0,0,0,0|1,1,0]=4 1626 B13R1.371 CSc1ccc(cn1)NC/C=C\Cl bf5bccad8c4ce74c33c64b5126c4368c [0,2,0,0,0,0|1,1,0]=4 1627 B13R1.371 CSc1ccc(cn1)NC/C=C\O 8bfcd2482ee7233a7c241c8445b1ed6c [0,2,0,0,0,0|1,1,0]=4 1628 B13R1.371 CSc1ccc(cn1)OC/C=C/Cl 3fbae36fe549bb5f91be51dad51c3126 [0,2,0,0,0,0|1,1,0]=4 1629 B13R1.371 CSc1ccc(cn1)OC/C=C\Cl f2fe261154132ec806fd2277480e0722 [0,2,0,0,0,0|1,1,0]=4 1630 B13R1.371 CSc1ccc(nc1)NC/C=C/Cl 02814337ff16a4a6f59dc0b25ee73209 [0,2,0,0,0,0|1,1,0]=4 1631 B13R1.371 CSc1ccc(nc1)NC/C=C\Cl bd0520cba162af2fce20515ba777f5e4 [0,2,0,0,0,0|1,1,0]=4 1632 B13R1.371 CSc1ccc(nc1)NC/C=C\O 03d3927925d416344a72f012643d19d1 [0,2,0,0,0,0|1,1,0]=4 1633 B13R1.371 N#Cc1ccc(cc1)NC/C=C/Cl b3b1abd036e26f0eeb0ef051189601db [0,2,0,0,0,0|2,0,0]=4 1634 B13R1.371 N#Cc1ccc(cc1)NC/C=C\Cl b0d0b94692bbe98f84eec4b369281edd [0,2,0,0,0,0|2,0,0]=4 1635 B13R1.371 N#Cc1ccc(cc1)NC/C=C\O 926a86c5e591b6ebf51e767bd43ec9e0 [0,2,0,0,0,0|2,0,0]=4 1636 B13R1.371 N#Cc1ccc(cc1)OC/C=C/Cl 2354631ef00ae591b59eceed60827e38 [0,2,0,0,0,0|2,0,0]=4 1637 B13R1.371 N#Cc1ccc(cc1)OC/C=C\Cl c90a1a0f9285e1db8a44747f839973d5 [0,2,0,0,0,0|2,0,0]=4 1638 B13R1.371 O/C=C\CNc1ccc(cc1)CO ba2c10830270cd1ca9a88075fb6f2232 [0,2,0,0,0,0|2,0,0]=4 1639 B13R1.371 O=Cc1ccc(cc1)NC/C=C/Cl fd9269d1ced0ebf8f38e5d58ea8d160d [0,2,0,0,0,0|2,0,0]=4 1640 B13R1.371 O=Cc1ccc(cc1)NC/C=C\Cl f110c9f4d68462a0205c72f93b5e6ac2 [0,2,0,0,0,0|2,0,0]=4 1641 B13R1.371 O=Cc1ccc(cc1)NC/C=C\O 8065af3f2cca6ba236c5f9f752bc9e31 [0,2,0,0,0,0|2,0,0]=4 1642 B13R1.371 O=Cc1ccc(cc1)OC/C=C/Cl 53d63b7009bd000de7607eec8f84fe86 [0,2,0,0,0,0|2,0,0]=4 1643 B13R1.371 O=Cc1ccc(cc1)OC/C=C\Cl d4275440ab2991bf87450ba132a2d502 [0,2,0,0,0,0|2,0,0]=4 1644 B13R1.371 O=Nc1ccc(cc1)OC/C=C/Cl e0cdd3e6232e899c5509f8f31975fe8f [0,2,0,0,0,0|2,0,0]=4 1645 B13R1.371 O=Nc1ccc(cc1)OC/C=C\Cl defb3ce67b29745bd7a39f596bde06bf [0,2,0,0,0,0|2,0,0]=4 1646 B13R1.371 OCc1ccc(cc1)NC/C=C/Cl 6e82d5b5a90d3997e9cf7ebb95124133 [0,2,0,0,0,0|2,0,0]=4 1647 B13R1.371 OCc1ccc(cc1)NC/C=C\Cl b725012c581453505dfaf676da9439ea [0,2,0,0,0,0|2,0,0]=4 1648 B13R1.577 C#CCNc1ccc(c(c1)Br)OC 6914bec239e29b8eef3cd6fc09d373f6 [0,2,0,0,0,0|0,0,2]=4 1649 B13R1.577 C#CCNc1ccc(c(c1)C)OC edb114d6d6f7759038f104516cd05d64 [0,2,0,0,0,0|0,0,2]=4 1650 B13R1.577 C#CCNc1ccc(c(c1)Cl)OC b45b16b243f15c3a9c2290d2867454fe [0,2,0,0,0,0|0,0,2]=4 1651 B13R1.577 C#CCNc1ccc(c(c1)F)OC 53287a6f165ae7f657456c810d874b70 [0,2,0,0,0,0|0,0,2]=4 1652 B13R1.577 C#CCNc1ccc(c(c1)I)OC 62afec805a75abed9f5f2066757312ec [0,2,0,0,0,0|0,0,2]=4 1653 B13R1.577 C#CCOc1ccc(c(c1)Br)OC e7f3fef279d34f96525f836d0e373878 [0,2,0,0,0,0|0,0,2]=4 1654 B13R1.577 C#CCOc1ccc(c(c1)C)OC 8427887cc85b87feb4e6b002820200aa [0,2,0,0,0,0|0,0,2]=4 1655 B13R1.577 C#CCOc1ccc(c(c1)Cl)OC 81bf31fec4f0159f564230d518ec2bb1 [0,2,0,0,0,0|0,0,2]=4 1656 B13R1.577 C#CCOc1ccc(c(c1)F)OC 1903b7e22a10597ed553b3591c190e54 [0,2,0,0,0,0|0,0,2]=4 1657 B13R1.577 C#CCOc1ccc(c(c1)I)OC 065d562ab3dca900c6cc6b4fa02215ba [0,2,0,0,0,0|0,0,2]=4 1658 B13R1.577 C#Cc1ccc(cc1Cl)NCC=C e1b6295fe3e3fc91cd1458b2dcc06d68 [0,2,0,0,0,0|1,0,1]=4 1659 B13R1.577 C#Cc1ccc(cc1F)NCC=C 962983d5d8aca3b13ef10d6fb1cb89bf [0,2,0,0,0,0|1,0,1]=4 1660 B13R1.577 C=CCNc1cc(c(cn1)OC)C 151b1eeb5299cc606f6959a879e439b5 [0,2,0,0,0,0|1,0,0]=3 1661 B13R1.577 C=CCNc1cc(c(cn1)OC)Cl 1c4f7c5965a7d0c16459ee6db31a32a9 [0,2,0,0,0,0|1,0,0]=3 1662 B13R1.577 C=CCNc1cc(c(cn1)OC)F 486a17161b9062730fcc3271755534fc [0,2,0,0,0,0|1,0,0]=3 1663 B13R1.577 C=CCNc1cc(c(nn1)OC)Cl 65fe49a5441f3f4996e191a4f0e079c7 [0,2,0,0,0,0|2,0,0]=4 1664 B13R1.577 C=CCNc1ccc(c(c1)Br)C#N 9fe14a4e0711170e2c529fdbfc9cd1f9 [0,2,0,0,0,0|2,0,0]=4 1665 B13R1.577 C=CCNc1ccc(c(c1)Br)C=O d33adfad55cd70f3a8135ea6f2d65da9 [0,2,0,0,0,0|2,0,0]=4 1666 B13R1.577 C=CCNc1ccc(c(c1)Br)CC 6863c23020aa145164381c2cc1e8481b [0,2,0,0,0,0|1,0,0]=3 1667 B13R1.577 C=CCNc1ccc(c(c1)Br)CO ce4527d9216b1346f294358d9427d813 [0,2,0,0,0,0|2,0,0]=4 1668 B13R1.577 C=CCNc1ccc(c(c1)Br)OC 982b6c64bb95175cd827d25d155e8a92 [0,2,0,0,0,0|0,0,0]=2 1669 B13R1.577 C=CCNc1ccc(c(c1)C)C#N c1405e16e6e936b1866f04189659cdff [0,2,0,0,0,0|2,0,0]=4 1670 B13R1.577 C=CCNc1ccc(c(c1)C)CO 7ca177af95468326400889816bdd1a2a [0,2,0,0,0,0|2,0,0]=4 1671 B13R1.577 C=CCNc1ccc(c(c1)C)OC df4534d48f4da3d93921f59118c87caf [0,2,0,0,0,0|0,0,0]=2 1672 B13R1.577 C=CCNc1ccc(c(c1)Cl)C#N 7900151cd8e48987092d36741de9998b [0,2,0,0,0,0|2,0,0]=4 1673 B13R1.577 C=CCNc1ccc(c(c1)Cl)C=O a6d12ae3766ccebf6c28cc1c0721217d [0,2,0,0,0,0|2,0,0]=4 1674 B13R1.577 C=CCNc1ccc(c(c1)Cl)CC 9348f18a9ec68ce02ca2f2441449fc1c [0,2,0,0,0,0|1,0,0]=3 1675 B13R1.577 C=CCNc1ccc(c(c1)Cl)CO 3fe5d69b7ae55a844984c58e7e4006cd [0,2,0,0,0,0|2,0,0]=4 1676 B13R1.577 C=CCNc1ccc(c(c1)Cl)OC 0d67abd360691a478a67826444b4634f [0,2,0,0,0,0|0,0,0]=2 1677 B13R1.577 C=CCNc1ccc(c(c1)Cl)SC ae5094de2e9223ebb92bf6f70af687e8 [0,2,0,0,0,0|0,1,0]=3 1678 B13R1.577 C=CCNc1ccc(c(c1)F)C#N 345e11d210473cddaf4e28286d6ff3f9 [0,2,0,0,0,0|2,0,0]=4 1679 B13R1.577 C=CCNc1ccc(c(c1)F)C=O 7fb00ed2f3924471a2b27c9504511a84 [0,2,0,0,0,0|2,0,0]=4 1680 B13R1.577 C=CCNc1ccc(c(c1)F)CO 3de1417b8777a20dee192e4ad8729880 [0,2,0,0,0,0|2,0,0]=4 1681 B13R1.577 C=CCNc1ccc(c(c1)F)OC 5692779d62ff85dae8fbfd14e4cad0a7 [0,2,0,0,0,0|0,0,0]=2 1682 B13R1.577 C=CCNc1ccc(c(c1)F)SC d5dad77c929988f58d939ef786d61099 [0,2,0,0,0,0|0,1,0]=3 1683 B13R1.577 C=CCNc1ccc(c(c1)I)CO 5d2c78938cf00e62151b9d7b2de5c2e8 [0,2,0,0,0,0|2,0,0]=4 1684 B13R1.577 C=CCNc1ccc(c(c1)I)OC a42ad0a805eb54ebc6f8278cab4a14c4 [0,2,0,0,0,0|0,0,0]=2 1685 B13R1.577 C=CCNc1ccc(c(n1)Br)OC 88318e2c262fc4c5b2f9a331a231cfc3 [0,2,0,0,0,0|1,0,0]=3 1686 B13R1.577 C=CCNc1ccc(c(n1)C)OC 427a009bb698de6c1a584c2364a92ec4 [0,2,0,0,0,0|1,0,0]=3 1687 B13R1.577 C=CCNc1ccc(c(n1)Cl)OC 62a92ffe939c151087dcc7dc3d22b714 [0,2,0,0,0,0|1,0,0]=3 1688 B13R1.577 C=CCNc1ccn(c(=O)c1)CC a83a10a3e994a837920eab0a40524a6f [0,2,0,0,0,0|2,0,0]=4 1689 B13R1.577 C=CCNc1cnc(c(c1)Br)CC c9cc8eb36f690016524234937c1dbecc [0,2,0,0,0,0|2,0,0]=4 1690 B13R1.577 C=CCNc1cnc(c(c1)Br)OC bb9cb5ab2045543ea762ecd787d4590c [0,2,0,0,0,0|1,0,0]=3 1691 B13R1.577 C=CCNc1cnc(c(c1)C)OC 84747946dd526118eb5ffaaef37fa862 [0,2,0,0,0,0|1,0,0]=3 1692 B13R1.577 C=CCNc1cnc(c(c1)Cl)OC eaa98863fe783da24b7652b67842a346 [0,2,0,0,0,0|1,0,0]=3 1693 B13R1.577 C=CCNc1cnc(c(c1)F)OC 61c37ffcd0fe8d19b6811009066c407c [0,2,0,0,0,0|1,0,0]=3 1694 B13R1.577 C=CCNc1ncc(c(=O)[nH]1)OC 75bf35231265115318ec5a91600ffb78 [0,2,0,0,0,0|2,0,0]=4 1695 B13R1.577 C=CCNc1ncc(c(n1)C)OC 075ef3e4da9234538dd784fc49481b41 [0,2,0,0,0,0|2,0,0]=4 1696 B13R1.577 C=CCNc1ncc(c(n1)Cl)OC 46f94dfb87da6a89a94c202da099fde9 [0,2,0,0,0,0|2,0,0]=4 1697 B13R1.577 C=CCOc1ccc(c(c1)Br)C#N 8a72195a33a6a8e1677d417c6506dd72 [0,2,0,0,0,0|2,0,0]=4 1698 B13R1.577 C=CCOc1ccc(c(c1)Br)C=O cee6ff85143e3f7c50cedfea17b813e6 [0,2,0,0,0,0|2,0,0]=4 1699 B13R1.577 C=CCOc1ccc(c(c1)Br)CC 2dab453348aecb28fcb23b50d0ffe8a4 [0,2,0,0,0,0|1,0,0]=3 1700 B13R1.577 C=CCOc1ccc(c(c1)Br)OC 071ba462f232a2c83755214d28985500 [0,2,0,0,0,0|0,0,0]=2 1701 B13R1.577 C=CCOc1ccc(c(c1)C)C#N fe949a24fa8c8e77dc91f442ca56c46e [0,2,0,0,0,0|2,0,0]=4 1702 B13R1.577 C=CCOc1ccc(c(c1)C)C=O fbf4bd1bf84722bdc2fa31e6f95629a4 [0,2,0,0,0,0|2,0,0]=4 1703 B13R1.577 C=CCOc1ccc(c(c1)C)OC f77c72df2181f87c10bffb2ac41fb2ee [0,2,0,0,0,0|0,0,0]=2 1704 B13R1.577 C=CCOc1ccc(c(c1)C)SC bc63fa37b6306fe5c240845cae0e13ce [0,2,0,0,0,0|0,1,0]=3 1705 B13R1.577 C=CCOc1ccc(c(c1)Cl)C#N 2d415dedc43253fa6d2b561ee8864d8f [0,2,0,0,0,0|2,0,0]=4 1706 B13R1.577 C=CCOc1ccc(c(c1)Cl)C=O 07b5151f9577be574a250179e0d7786d [0,2,0,0,0,0|2,0,0]=4 1707 B13R1.577 C=CCOc1ccc(c(c1)Cl)CC facef49cc853cd86d69cb4d3d6536264 [0,2,0,0,0,0|1,0,0]=3 1708 B13R1.577 C=CCOc1ccc(c(c1)Cl)OC 077e2afa1433241fb5cd318a27f1341c [0,2,0,0,0,0|0,0,0]=2 1709 B13R1.577 C=CCOc1ccc(c(c1)Cl)SC e73ec67af0b044ad65cafe1a681d3bbd [0,2,0,0,0,0|0,1,0]=3 1710 B13R1.577 C=CCOc1ccc(c(c1)F)C#N 71660f6315c14e29b8a58525ed902167 [0,2,0,0,0,0|2,0,0]=4 1711 B13R1.577 C=CCOc1ccc(c(c1)F)C=O d427957f33a6dadf6ec9db5b5e6f2273 [0,2,0,0,0,0|2,0,0]=4 1712 B13R1.577 C=CCOc1ccc(c(c1)F)CC 9058a45d64368a4e54f10756ba61cacf [0,2,0,0,0,0|1,0,0]=3 1713 B13R1.577 C=CCOc1ccc(c(c1)F)OC ac4dc01aa3076d5b6368aacd75f052a9 [0,2,0,0,0,0|0,0,0]=2 1714 B13R1.577 C=CCOc1ccc(c(c1)F)SC 43b32b310f3926d7fad7be753a0cf835 [0,2,0,0,0,0|0,1,0]=3 1715 B13R1.577 C=CCOc1ccc(c(c1)I)C#N a270642da64d66a18ea6c3a17673fb1a [0,2,0,0,0,0|2,0,0]=4 1716 B13R1.577 C=CCOc1ccc(c(c1)I)C=O c83f043653d541e235962c49a179b1d5 [0,2,0,0,0,0|2,0,0]=4 1717 B13R1.577 C=CCOc1ccc(c(c1)I)OC 93ea4aac086198e06a950ef0949e90e5 [0,2,0,0,0,0|0,0,0]=2 1718 B13R1.577 C=CCOc1cnc(c(c1)Br)OC 10168e56914228f6ad547b73141c3179 [0,2,0,0,0,0|1,0,0]=3 1719 B13R1.577 C=CCOc1cnc(c(c1)C)OC 9f414ac06ae10f016665edf97b652286 [0,2,0,0,0,0|1,0,0]=3 1720 B13R1.577 C=CCOc1cnc(c(c1)C)SC 0e80af73cdd2cbb13ddeb997a82cc71c [0,2,0,0,0,0|1,1,0]=4 1721 B13R1.577 C=CCOc1cnc(c(c1)Cl)OC 7284d9bc7a1d1d6221d12da140b3c7ea [0,2,0,0,0,0|1,0,0]=3 1722 B13R1.577 C=CCOc1cnc(c(c1)F)OC 70b6c183bae34cf74d550a32533d57da [0,2,0,0,0,0|1,0,0]=3 1723 B13R1.577 CCCNc1ccc(c(c1)Br)OC 30783a00dfd73db50671e1914c1f2458 [0,2,0,0,0,0|0,0,2]=4 1724 B13R1.577 CCCNc1ccc(c(c1)C)OC 850e1028a97439a881244598ee33e093 [0,2,0,0,0,0|0,0,2]=4 1725 B13R1.577 CCCNc1ccc(c(c1)Cl)OC 21b8c56157993565b6dd3257bea99d98 [0,2,0,0,0,0|0,0,2]=4 1726 B13R1.577 CCCNc1ccc(c(c1)F)OC 29bca3f35d205a0cfeb4b61a51696fbf [0,2,0,0,0,0|0,0,2]=4 1727 B13R1.577 CCCNc1ccc(c(c1)I)OC 573445ae923d26c4156ac5290985d4d0 [0,2,0,0,0,0|0,0,2]=4 1728 B13R1.577 CCCOc1ccc(c(c1)Br)OC 8de8ddd67baa47c7c9413df550205abc [0,2,0,0,0,0|0,0,2]=4 1729 B13R1.577 CCCOc1ccc(c(c1)C)OC 037206438c1e3879a701ec2428909fb8 [0,2,0,0,0,0|0,0,2]=4 1730 B13R1.577 CCCOc1ccc(c(c1)Cl)OC 3a415dbb5222d12919535da1a615c297 [0,2,0,0,0,0|0,0,2]=4 1731 B13R1.577 CCCOc1ccc(c(c1)F)OC 6105557333b186c93cc0f6cc0df17d08 [0,2,0,0,0,0|0,0,2]=4 1732 B13R1.577 CCCOc1ccc(c(c1)I)OC 341d987cd8f478c776ab635a202e1b8c [0,2,0,0,0,0|0,0,2]=4 1733 B13R1.577 CCNCc1ccc(c(c1)C)OC 5f6c5c5bd3a1105d4133df02438e733e [0,2,0,0,0,0|0,0,2]=4 1734 B13R1.577 CCNCc1ccc(c(c1)Cl)OC a373d345c70f9533db9cf8917350c6ee [0,2,0,0,0,0|0,0,2]=4 1735 B13R1.577 CCNCc1ccc(c(c1)F)OC f83dae84f1ce55a773f6e8305191efa9 [0,2,0,0,0,0|0,0,2]=4 1736 B13R1.577 CCOCc1ccc(c(c1)Br)OC 1b865a83bc90f1b7c3d1f37334df8003 [0,2,0,0,0,0|0,0,2]=4 1737 B13R1.577 CCOCc1ccc(c(c1)C)OC e451e8789f89ceeaefafa832417bab46 [0,2,0,0,0,0|0,0,2]=4 1738 B13R1.577 CCOCc1ccc(c(c1)Cl)OC 77f2ab94d283f32f2e04321b42c1bbf5 [0,2,0,0,0,0|0,0,2]=4 1739 B13R1.577 CCOCc1ccc(c(c1)F)OC ad24e10d5be9d228e4e07066ec91544c [0,2,0,0,0,0|0,0,2]=4 1740 B13R1.577 CCOCc1ccc(c(c1)I)OC ffbfd24f0245d93d6ef7e4785e44d779 [0,2,0,0,0,0|0,0,2]=4 1741 B13R1.577 CCc1ccc(cc1Br)NCC=O a4413f2cb47ea1b863d13f1177c43c47 [0,2,0,0,0,0|2,0,0]=4 1742 B13R1.577 CCc1ccc(cc1Br)OCC=O 7f5743eadfd2785f7f4adfba56b17b38 [0,2,0,0,0,0|2,0,0]=4 1743 B13R1.577 CCc1ccc(cc1Cl)NCC=O 204839472ac2cbb8d42079ecc56eba1e [0,2,0,0,0,0|2,0,0]=4 1744 B13R1.577 CCc1ccc(cc1Cl)OCC=O c78352e025e14c8eee69b58446e9e339 [0,2,0,0,0,0|2,0,0]=4 1745 B13R1.577 CCc1ccc(cc1F)OCC=O 505ea1d6a7da2602002f02758b30ce71 [0,2,0,0,0,0|2,0,0]=4 1746 B13R1.577 COCNc1ccc(c(c1)Br)OC 7a0fffa9da4b0d5417fd5a43107b539e [0,2,0,0,0,0|1,0,1]=4 1747 B13R1.577 COCNc1ccc(c(c1)C)OC 5a7cff53811af6d2c6f41e75eb939631 [0,2,0,0,0,0|1,0,1]=4 1748 B13R1.577 COCNc1ccc(c(c1)Cl)OC 0d66e2b08bd6b03748c5e5960803d8ae [0,2,0,0,0,0|1,0,1]=4 1749 B13R1.577 COCNc1ccc(c(c1)F)OC 63ee8073ab07929b2099aa334ce411db [0,2,0,0,0,0|1,0,1]=4 1750 B13R1.577 COCNc1ccc(c(c1)I)OC d40f18997c5cc2f73204f11196a4a728 [0,2,0,0,0,0|1,0,1]=4 1751 B13R1.577 COCOc1ccc(c(c1)Br)OC c2ca36be748592ae197df31e5484c866 [0,2,0,0,0,0|1,0,1]=4 1752 B13R1.577 COCOc1ccc(c(c1)C)OC c978d83b9106732fc2f2d2cc097bf6b4 [0,2,0,0,0,0|1,0,1]=4 1753 B13R1.577 COCOc1ccc(c(c1)Cl)OC 7e137e77d0bd88519bd414ce3e7da718 [0,2,0,0,0,0|1,0,1]=4 1754 B13R1.577 COCOc1ccc(c(c1)F)OC 117e79f909a827d8b5fbc92ace12f365 [0,2,0,0,0,0|1,0,1]=4 1755 B13R1.577 COCOc1ccc(c(c1)I)OC a08b7b8df0c263afe9cb4ac30343eac2 [0,2,0,0,0,0|1,0,1]=4 1756 B13R1.577 COc1ccc(cc1Br)CNC#N d68c5c7354732a51556834dbde3ce2e3 [0,2,0,0,0,0|1,0,1]=4 1757 B13R1.577 COc1ccc(cc1Br)COCF 1c86bdf7a42d007c45b67cb737e54683 [0,2,0,0,0,0|1,0,1]=4 1758 B13R1.577 COc1ccc(cc1Br)NCC#N 0afdd9c3cb7356c528eeab550c4623ce [0,2,0,0,0,0|1,0,1]=4 1759 B13R1.577 COc1ccc(cc1Br)NCC=O a42557fd628e58cacfce6b92edea031a [0,2,0,0,0,0|1,0,0]=3 1760 B13R1.577 COc1ccc(cc1Br)NCCF 31a2666b40089f4ba9617a362c441c75 [0,2,0,0,0,0|1,0,1]=4 1761 B13R1.577 COc1ccc(cc1Br)NCCO ed1402919e267840e68c0e53e08c99b9 [0,2,0,0,0,0|1,0,1]=4 1762 B13R1.577 COc1ccc(cc1Br)NCCS b4ca7f53ab27f926f1e75fc1f083af60 [0,2,0,0,0,0|1,0,1]=4 1763 B13R1.577 COc1ccc(cc1Br)NCSC dc5769db7d5a3eb68c4fd9583e6fc824 [0,2,0,0,0,0|1,0,1]=4 1764 B13R1.577 COc1ccc(cc1Br)OCC#N 60b4bec165b3d11a531be99e9c0364d8 [0,2,0,0,0,0|1,0,1]=4 1765 B13R1.577 COc1ccc(cc1Br)OCC=O b23ff75285f0d6cc1c1b3df1f37edafc [0,2,0,0,0,0|1,0,0]=3 1766 B13R1.577 COc1ccc(cc1Br)OCCF c34a893a2c323f7f67dc53119da6200a [0,2,0,0,0,0|1,0,1]=4 1767 B13R1.577 COc1ccc(cc1Br)OCCS fba1925075495afb58d71cfdf800e572 [0,2,0,0,0,0|1,0,1]=4 1768 B13R1.577 COc1ccc(cc1Br)OCSC 2798bbd8f45abb10f7edf5f63c6a46a4 [0,2,0,0,0,0|1,0,1]=4 1769 B13R1.577 COc1ccc(cc1C)CNC#N e45f513c076223ebdde4fef54eb23db0 [0,2,0,0,0,0|1,0,1]=4 1770 B13R1.577 COc1ccc(cc1C)CNC=O 58960a741829fd1c50ae22ba4b23a3fb [0,2,0,0,0,0|1,0,0]=3 1771 B13R1.577 COc1ccc(cc1C)CNCF d2d2161542ca0707c540125fe60802ba [0,2,0,0,0,0|1,0,1]=4 1772 B13R1.577 COc1ccc(cc1C)CNCO 1c41bf75a35959d477f7c82616c3c440 [0,2,0,0,0,0|1,0,1]=4 1773 B13R1.577 COc1ccc(cc1C)COCF 7525aa42937a59aaa1af962913ce0483 [0,2,0,0,0,0|1,0,1]=4 1774 B13R1.577 COc1ccc(cc1C)NCC#N 395850707795b72083e86210f4150e16 [0,2,0,0,0,0|1,0,1]=4 1775 B13R1.577 COc1ccc(cc1C)NCC=O 5758c975141a1db7a2b595938014da17 [0,2,0,0,0,0|1,0,0]=3 1776 B13R1.577 COc1ccc(cc1C)NCCF 28b33bfa69d7fd3f85e3265bea02406a [0,2,0,0,0,0|1,0,1]=4 1777 B13R1.577 COc1ccc(cc1C)NCCO be4c852bc4a7a6d0bc09c62dbcc8f38a [0,2,0,0,0,0|1,0,1]=4 1778 B13R1.577 COc1ccc(cc1C)NCCS 48f87c7489b09e5ddd4c3a381e0a8bb6 [0,2,0,0,0,0|1,0,1]=4 1779 B13R1.577 COc1ccc(cc1C)NCSC 84fecb5c4acc4b7c8ea5d494fa694e01 [0,2,0,0,0,0|1,0,1]=4 1780 B13R1.577 COc1ccc(cc1C)OCC#N 29d935fbf1c2b9fbc28127d7fc773e9a [0,2,0,0,0,0|1,0,1]=4 1781 B13R1.577 COc1ccc(cc1C)OCC=O baacbc274a1bf0b28eb85034b5ea5c93 [0,2,0,0,0,0|1,0,0]=3 1782 B13R1.577 COc1ccc(cc1C)OCCF c0e9f15a7e22a6e284b0a9e30a48c31a [0,2,0,0,0,0|1,0,1]=4 1783 B13R1.577 COc1ccc(cc1C)OCCS 117237df570a62b2336c6b8055eb6b64 [0,2,0,0,0,0|1,0,1]=4 1784 B13R1.577 COc1ccc(cc1C)OCSC a1e2cb5c35c1c1b8fda2a065628a9ff3 [0,2,0,0,0,0|1,0,1]=4 1785 B13R1.577 COc1ccc(cc1Cl)CNC#N 814f0bacdf953e8ead34e1eaacf9ff51 [0,2,0,0,0,0|1,0,1]=4 1786 B13R1.577 COc1ccc(cc1Cl)CNC=O 213c4294f4c5a4235b02824bd33df934 [0,2,0,0,0,0|1,0,0]=3 1787 B13R1.577 COc1ccc(cc1Cl)CNCF 72979115aa3b004d141d9b4cf8fd18d5 [0,2,0,0,0,0|1,0,1]=4 1788 B13R1.577 COc1ccc(cc1Cl)CNCO 07655471dfd482e0b2a801bc1d88ea17 [0,2,0,0,0,0|1,0,1]=4 1789 B13R1.577 COc1ccc(cc1Cl)COCF 3e55a82a8d668dd81f2b919a3b57ee13 [0,2,0,0,0,0|1,0,1]=4 1790 B13R1.577 COc1ccc(cc1Cl)NCC#N e805a9504fabca30e91ced8cfdb93e07 [0,2,0,0,0,0|1,0,1]=4 1791 B13R1.577 COc1ccc(cc1Cl)NCC=O cb3b6d015826554886806e63c30e684f [0,2,0,0,0,0|1,0,0]=3 1792 B13R1.577 COc1ccc(cc1Cl)NCCF e537863e2a12f25ddc884fa50dc6c3f1 [0,2,0,0,0,0|1,0,1]=4 1793 B13R1.577 COc1ccc(cc1Cl)NCCO dca05db98259635715dbb69f7b231869 [0,2,0,0,0,0|1,0,1]=4 1794 B13R1.577 COc1ccc(cc1Cl)NCCS 7c1e3028f3eebed8d7aab69bd527d598 [0,2,0,0,0,0|1,0,1]=4 1795 B13R1.577 COc1ccc(cc1Cl)NCSC 080d05ef98fe1f8f29e028d6541c2136 [0,2,0,0,0,0|1,0,1]=4 1796 B13R1.577 COc1ccc(cc1Cl)OCC#N 8175afa390383a391a72f1f54f0d2b7c [0,2,0,0,0,0|1,0,1]=4 1797 B13R1.577 COc1ccc(cc1Cl)OCC=O 4cc63597a81a777574385d91edd8ef3b [0,2,0,0,0,0|1,0,0]=3 1798 B13R1.577 COc1ccc(cc1Cl)OCCF 9dfda5d8c7f2a7f31c60dfbbe1175f03 [0,2,0,0,0,0|1,0,1]=4 1799 B13R1.577 COc1ccc(cc1Cl)OCCS 7cae99def2d799c89a31841c847d202b [0,2,0,0,0,0|1,0,1]=4 1800 B13R1.577 COc1ccc(cc1Cl)OCSC 03112b84b0159fececc9a20bdffb2d5d [0,2,0,0,0,0|1,0,1]=4 1801 B13R1.577 COc1ccc(cc1F)CNC#N 0768ce21917fb86f0ca8718944253786 [0,2,0,0,0,0|1,0,1]=4 1802 B13R1.577 COc1ccc(cc1F)CNC=O 79a1642dc36152c0d7ebbe38d2e4d34a [0,2,0,0,0,0|1,0,0]=3 1803 B13R1.577 COc1ccc(cc1F)CNCF f030059b5c6abd65dc6bc78a4af1fd05 [0,2,0,0,0,0|1,0,1]=4 1804 B13R1.577 COc1ccc(cc1F)CNCO ac47c2aff812b90a87281cd7af095fb5 [0,2,0,0,0,0|1,0,1]=4 1805 B13R1.577 COc1ccc(cc1F)COCF 2b49e206bac34b9b44fd14d0b3b59fd4 [0,2,0,0,0,0|1,0,1]=4 1806 B13R1.577 COc1ccc(cc1F)NCC#N 6b75c6eb720a0ebfdf4054d1d3b6c677 [0,2,0,0,0,0|1,0,1]=4 1807 B13R1.577 COc1ccc(cc1F)NCC=O aa1c7fde2d2b04992ee6fa4df47b37b8 [0,2,0,0,0,0|1,0,0]=3 1808 B13R1.577 COc1ccc(cc1F)NCCF aed3991162707cde85064842d1d15c39 [0,2,0,0,0,0|1,0,1]=4 1809 B13R1.577 COc1ccc(cc1F)NCCO 50b167af34f229c4bf0d5f62aca72c57 [0,2,0,0,0,0|1,0,1]=4 1810 B13R1.577 COc1ccc(cc1F)NCCS c03f1071516a980e2fae1745eea819fd [0,2,0,0,0,0|1,0,1]=4 1811 B13R1.577 COc1ccc(cc1F)NCSC fe5d22e1ca5b3cd8490bd06611a08e71 [0,2,0,0,0,0|1,0,1]=4 1812 B13R1.577 COc1ccc(cc1F)OCC#N 00a020b7b0963f05676a1557b8aba811 [0,2,0,0,0,0|1,0,1]=4 1813 B13R1.577 COc1ccc(cc1F)OCC=O 4501115b7eaad93bed246027552dbf3f [0,2,0,0,0,0|1,0,0]=3 1814 B13R1.577 COc1ccc(cc1F)OCCF 8907a4d29721aee5ae6b75ec1084f22b [0,2,0,0,0,0|1,0,1]=4 1815 B13R1.577 COc1ccc(cc1F)OCCS 4499ff46c33968e56fa07742b4a01b2b [0,2,0,0,0,0|1,0,1]=4 1816 B13R1.577 COc1ccc(cc1F)OCSC 5216f71f7f60dd082d22b62c00974113 [0,2,0,0,0,0|1,0,1]=4 1817 B13R1.577 COc1ccc(cc1I)COCF d64dcee466ba4b19243d555d2fabf94d [0,2,0,0,0,0|1,0,1]=4 1818 B13R1.577 COc1ccc(cc1I)NCC#N 32dd513a4113af58809cc50c1ee83b9f [0,2,0,0,0,0|1,0,1]=4 1819 B13R1.577 COc1ccc(cc1I)NCC=O f80ce08ad55c73beed1482de37724a2a [0,2,0,0,0,0|1,0,0]=3 1820 B13R1.577 COc1ccc(cc1I)NCCF 2dcf1d64d3e7785272318405d3d81333 [0,2,0,0,0,0|1,0,1]=4 1821 B13R1.577 COc1ccc(cc1I)NCCO 602707ae1b3dc124469d053fdbf30d59 [0,2,0,0,0,0|1,0,1]=4 1822 B13R1.577 COc1ccc(cc1I)NCCS 5db046b166fa1de4c96c84764d95bbfb [0,2,0,0,0,0|1,0,1]=4 1823 B13R1.577 COc1ccc(cc1I)NCSC fde13352ce5afee491d311142e3a01ae [0,2,0,0,0,0|1,0,1]=4 1824 B13R1.577 COc1ccc(cc1I)OCC#N 9e18dd839ff03f66c4225a74cda7b613 [0,2,0,0,0,0|1,0,1]=4 1825 B13R1.577 COc1ccc(cc1I)OCC=O 24374c08dc2852549330095877b98027 [0,2,0,0,0,0|1,0,0]=3 1826 B13R1.577 COc1ccc(cc1I)OCCF 3394080fcd0a3eca5be84c5b61976704 [0,2,0,0,0,0|1,0,1]=4 1827 B13R1.577 COc1ccc(cc1I)OCCS 1a264504bfa75a4bc0fc65f2b01e7a30 [0,2,0,0,0,0|1,0,1]=4 1828 B13R1.577 COc1ccc(cc1I)OCSC 9192e3f5a736f687d0c12bafec233be3 [0,2,0,0,0,0|1,0,1]=4 1829 B13R1.577 COc1ccc(cc1O)CNC=O de0df5d6557c79d14f88b9e442e95959 [0,2,0,0,0,0|1,0,0]=3 1830 B13R1.577 COc1ccc(nc1Br)NCC=O e3e7c23dc54dbf29ed30c8da956ef15c [0,2,0,0,0,0|2,0,0]=4 1831 B13R1.577 COc1ccc(nc1C)NCC=O a953b4437cadd413f63ade33239dbaca [0,2,0,0,0,0|2,0,0]=4 1832 B13R1.577 COc1ccc(nc1Cl)NCC=O c538d637611c255ee6b2d2fe9631ca98 [0,2,0,0,0,0|2,0,0]=4 1833 B13R1.577 COc1cnc(cc1C)NCC=O 0a3f3b80a81e9c3ac3649fbff9fb4023 [0,2,0,0,0,0|2,0,0]=4 1834 B13R1.577 COc1cnc(cc1Cl)NCC=O 0b6f7a5b98d8daee3d53c7a3a232749b [0,2,0,0,0,0|2,0,0]=4 1835 B13R1.577 COc1cnc(cc1F)NCC=O 21253c0478865c1b5b77f80549344d47 [0,2,0,0,0,0|2,0,0]=4 1836 B13R1.577 COc1ncc(cc1Br)NCC=O 7dc2e422b1e6f5674c70853c5d787a0b [0,2,0,0,0,0|2,0,0]=4 1837 B13R1.577 COc1ncc(cc1Br)OCC=O 253a1e29a8445c9e86e79b2457e188ec [0,2,0,0,0,0|2,0,0]=4 1838 B13R1.577 COc1ncc(cc1C)NCC=O 4f0e3f0cdb4e4b721c321886b76e5425 [0,2,0,0,0,0|2,0,0]=4 1839 B13R1.577 COc1ncc(cc1C)OCC=O e787c43d2fbf64a90ef8d9550c7871ba [0,2,0,0,0,0|2,0,0]=4 1840 B13R1.577 COc1ncc(cc1Cl)CNC=O c739647a7c4623932484efc5edfd6b1a [0,2,0,0,0,0|2,0,0]=4 1841 B13R1.577 COc1ncc(cc1Cl)NCC=O b6dacf71199903fe67cc4475ebad35c6 [0,2,0,0,0,0|2,0,0]=4 1842 B13R1.577 COc1ncc(cc1Cl)OCC=O 2a0e3f23ad855d77fae093edb60f4eae [0,2,0,0,0,0|2,0,0]=4 1843 B13R1.577 COc1ncc(cc1F)CNC=O 1d3f79a9b17c1339744f291428f069b6 [0,2,0,0,0,0|2,0,0]=4 1844 B13R1.577 COc1ncc(cc1F)NCC=O 421fb39dc53bde1dca4d76c1fe6daf95 [0,2,0,0,0,0|2,0,0]=4 1845 B13R1.577 COc1ncc(cc1F)OCC=O ad8192eccc7f43529fab7c2f6194f15d [0,2,0,0,0,0|2,0,0]=4 1846 B13R1.577 CSc1ccc(cc1C)OCC=O bf90daafd48e661de7c2d0e26851cef7 [0,2,0,0,0,0|1,1,0]=4 1847 B13R1.577 CSc1ccc(cc1Cl)NCC=O bf2eb68d19a802afb25c1cd4b67588a1 [0,2,0,0,0,0|1,1,0]=4 1848 B13R1.577 CSc1ccc(cc1Cl)OCC=O cc31bf9e37f7a34ecd032417f62efa94 [0,2,0,0,0,0|1,1,0]=4 1849 B13R1.577 CSc1ccc(cc1F)NCC=O ab98c5d6b00cfd850cd6dfac910bd179 [0,2,0,0,0,0|1,1,0]=4 1850 B13R1.577 CSc1ccc(cc1F)OCC=O ff6d6ab7da3c7bbc658ab9e7d8f7191c [0,2,0,0,0,0|1,1,0]=4 1851 B13R1.388 C=CCc1ccc(cc1F)NC#N 56cf4358e8e73b659c25197f33df24f1 [0,2,0,0,0,0|1,0,1]=4 1852 B13R1.388 CCCc1ccc(c(c1)Br)OCC 628c43ae6d56a6697b1b6d0446037ba9 [0,2,0,0,0,0|0,0,2]=4 1853 B13R1.388 CCCc1ccc(c(c1)Br)OCF a3718537927d0b8fe8a7c6d270f4bbb8 [0,2,0,0,0,0|0,0,2]=4 1854 B13R1.388 CCCc1ccc(c(c1)Cl)OCC 8666aa8f503b41ad5a8f60b63bbcecde [0,2,0,0,0,0|0,0,2]=4 1855 B13R1.388 CCCc1ccc(c(c1)Cl)OCF 2599377465adf0e18375134cb203e5de [0,2,0,0,0,0|0,0,2]=4 1856 B13R1.388 CCOc1ccc(c(c1)Br)NC=O d49a12da71dfad897f9c7aef5d6fd734 [0,2,0,0,0,0|2,0,0]=4 1857 B13R1.388 CCOc1ccc(c(c1)C)NC=O 6e7a53619602827ba983d896ee97159e [0,2,0,0,0,0|2,0,0]=4 1858 B13R1.388 CCOc1ccc(c(c1)Cl)NC=O a7df5038cd7f9f2a436f5b3c9cae5f6f [0,2,0,0,0,0|2,0,0]=4 1859 B13R1.388 CCOc1ccc(c(c1)F)NC=O 5d31c847e17c1a8d7efe5850f3d99906 [0,2,0,0,0,0|2,0,0]=4 1860 B13R1.388 CCOc1ccc(c(c1)O)NC=O e84cfcd2970760b00c30fa973edb8fd5 [0,2,0,0,0,0|2,0,0]=4 1861 B13R1.388 CCOc1ccc(cc1C)COC 2c436b6b89a233720bcc47c31933dd67 [0,2,0,0,0,0|1,0,1]=4 1862 B13R1.388 CCOc1ccc(cc1C)NC=O 28bf2984832da0640e1dae616231e595 [0,2,0,0,0,0|2,0,0]=4 1863 B13R1.388 CCOc1ccc(cc1Cl)NC=O 968a21393b0a14000195568c1b3a2057 [0,2,0,0,0,0|2,0,0]=4 1864 B13R1.388 CCOc1ccc(cc1F)NC=O f0ec772aa5b4de149925856faddaeb28 [0,2,0,0,0,0|2,0,0]=4 1865 B13R1.388 COCc1ccc(c(c1)C)OCF 129b48a1aa88259243fef0273f5bf001 [0,2,0,0,0,0|1,0,1]=4 1866 B13R1.388 COCc1ccc(cc1F)NC=O 4092c53683192d7ca597d2e6dceb7f40 [0,2,0,0,0,0|2,0,0]=4 1867 B13R1.1249 C#Cc1cc(ccc1NC=O)OC 1a5225ca232260a45ab9cee0bf97de96 [0,2,0,0,0,0|2,0,0]=4 1868 B13R1.1249 C=Cc1cc(ccc1NC=O)OC 25b34920a265dd044781d72b86ea6671 [0,2,0,0,0,0|2,0,0]=4 1869 B13R1.1249 COc1ccc(c(c1)C#N)NC=O 2255d27d8ba15a13acf3debd51bb9a70 [0,2,0,0,0,0|2,0,0]=4 1870 B13R1.1249 COc1ccc(c(c1)CO)NC=O 49d18cc7b3473266db8cab99dba93298 [0,2,0,0,0,0|2,0,0]=4 1871 B13R1.1249 COc1ccc(c(c1)OC)NC=O e58b957e4e08f533b7cf315edc423ea7 [0,2,0,0,0,0|2,0,0]=4 1872 B13R1.1254 COc1ccc(c(c1Br)F)NC=O ebd208a5dfbdf485e3a7126b297de21e [0,2,0,0,0,0|2,0,0]=4 1873 B13R1.1254 COc1ccc(c(c1C)Cl)NC=O 5dbe530d540fb37166ac7448fbb6cbd2 [0,2,0,0,0,0|2,0,0]=4 1874 B13R1.1254 COc1ccc(c(c1Cl)F)NC=O 73c6f0eb8e42594773a185fc31b276d0 [0,2,0,0,0,0|2,0,0]=4 1875 B13R1.1254 COc1ccc(c(c1F)Br)NC=O 19d429600b7e67c13a17087f6352c974 [0,2,0,0,0,0|2,0,0]=4 1876 B13R1.1254 COc1ccc(c(c1F)C)NC=O 325137ca2ec6fae57824f6a5367d33ef [0,2,0,0,0,0|2,0,0]=4 1877 B13R1.1254 COc1ccc(c(c1F)F)NC=O e43fc7f6c8727e78609d52394ed892c2 [0,2,0,0,0,0|2,0,0]=4 1878 B13R1.1254 COc1ccc(c(c1F)I)NC=O 095ffffecb9431b045236bd20f900598 [0,2,0,0,0,0|2,0,0]=4 1879 B13R1.2901 COc1cc(c(cc1C)NC=O)C 3cefd103c18c5c77bd11123f4c0221d0 [0,2,0,0,0,0|2,0,0]=4 1880 B13R1.2901 COc1cc(c(cc1C)NC=O)Cl 1f8c3a73eeacb7797f83a7ab38c1daf7 [0,2,0,0,0,0|2,0,0]=4 1881 B13R1.2901 COc1cc(c(cc1Cl)NC=O)Cl ad6a38f20546048211682c2ed82a1841 [0,2,0,0,0,0|2,0,0]=4 1882 B13R1.2901 COc1cc(c(cc1F)NC=O)Cl 29106a60830453319e305ca0a3fcaf85 [0,2,0,0,0,0|2,0,0]=4 1883 B13R1.2901 COc1cc(c(cc1F)NC=O)F 42bf6488feff05914e06bb2f9b7a59af [0,2,0,0,0,0|2,0,0]=4 1884 B13R1.3945 COc1cc(c(c(c1)Br)NC=O)Br 10d3bc08b86f5e4ca800d15d8fb2cc4b [0,2,0,0,0,0|2,0,0]=4 1885 B13R1.3945 COc1cc(c(c(c1)Br)NC=O)C cf4bce5e9303b5af388adf14ff9dc446 [0,2,0,0,0,0|2,0,0]=4 1886 B13R1.3945 COc1cc(c(c(c1)Br)NC=O)F 331f211e87f0b0cec7b4d6d26e8cc870 [0,2,0,0,0,0|2,0,0]=4 1887 B13R1.3945 COc1cc(c(c(c1)F)NC=O)F 4c9469fb56fe50afd33663f4a7263960 [0,2,0,0,0,0|2,0,0]=4 1888 B13R1.386 COc1ccc(cc1C#N)NC=O 88c758f531abdbc3d82c01fc8a2425df [0,2,0,0,0,0|2,0,0]=4 1889 B13R1.386 COc1ccc(cc1CO)NC=O 04474fb7f73369d08bd8c2e460dab908 [0,2,0,0,0,0|2,0,0]=4 1890 B13R1.386 COc1ccc(cc1OC)NC=O d62b0dd62c3bd1574de2ae3c2f59a511 [0,2,0,0,0,0|2,0,0]=4 1891 B13R1.4031 COc1c(cc(cc1Br)NC=O)Br 4a41c1d7bb890123baad1df4ba91a206 [0,2,0,0,0,0|2,0,0]=4 1892 B13R1.4031 COc1c(cc(cc1Br)NC=O)F 5cf161e28509a763f2009d5f8d8758cb [0,2,0,0,0,0|2,0,0]=4 1893 B13R1.4031 COc1c(cc(cc1C)NC=O)C 5ee0961853007315a7b859ac97f30aa1 [0,2,0,0,0,0|2,0,0]=4 1894 B13R1.4031 COc1c(cc(cc1Cl)NC=O)Cl b22cd9dd2f528c86b208d0800f60fd55 [0,2,0,0,0,0|2,0,0]=4 1895 B13R1.4031 COc1c(cc(cc1Cl)NC=O)F 63246365f67c59483475f722af8543b3 [0,2,0,0,0,0|2,0,0]=4 1896 B13R1.4031 COc1c(cc(cc1F)NC=O)F e9dfbc32644739d6e8a97bf734739e73 [0,2,0,0,0,0|2,0,0]=4 1897 B13R2.184 COc1ccc(cc1)NC2CC2 8a60685a02cd74a57f4131823848e1a7 [0,1,0,1,0,0|0,0,2]=4 1898 B13R2.184 COc1ccc(cc1)OC2CC2 32ae0b830a81575e6ad6b82b001de835 [0,1,0,1,0,0|0,0,2]=4 1899 B13R2.467 C=CCNc1ccc2c(c1)CC2 c3af886ef93127ff1e51fde2b79278aa [0,1,0,1,0,0|1,0,0]=3 1900 B13R2.467 O=CCNc1ccc2c(c1)CC2 2c4e24924dc5b3c6613e3732c06da2c4 [0,1,0,1,0,0|2,0,0]=4 1901 B13R2.60 CCOc1ccc(cc1)C2CC2 0d73b61ea3ec429f7b035cbd1c203358 [0,1,0,1,0,0|0,0,2]=4 1902 B13R2.60 FCOc1ccc(cc1)C2CC2 1acf634f051d08f7c9a5fb845916d921 [0,1,0,1,0,0|0,0,2]=4 1903 B13R2.449 CCNc1ccc2[nH]ccc2c1 98065b72ec95f1403bee7ee933d27e28 [0,1,0,1,0,0|2,0,0]=4 1904 B13R2.449 CCNc1ccc2occc2c1 359a1fd0627b6e4e537b62b306e0515c [0,1,0,1,0,0|2,0,0]=4 1905 B13R2.449 CCNc1ccc2sccc2c1 0b220df98bf5278146ba09d185c9c859 [0,1,0,1,0,0|2,0,0]=4 1906 B13R2.449 CCOc1cc2cc[nH]c2cn1 c66e763a55e4342be0be73f2fc6a0e4b [0,1,0,1,0,0|2,0,0]=4 1907 B13R2.449 CCOc1ccc2[nH]ccc2c1 e4a9672343e84f5f3eda54aa4ea33c65 [0,1,0,1,0,0|1,0,0]=3 1908 B13R2.449 CCOc1ccc2[nH]cnc2c1 5f650e34d680269d9c6fb16533900e92 [0,1,0,1,0,0|2,0,0]=4 1909 B13R2.449 CCOc1ccc2[nH]ncc2c1 a731c192126c0536c982462e975b74c1 [0,1,0,1,0,0|2,0,0]=4 1910 B13R2.449 CCOc1ccc2c(c1)CCC2 0a5df21aeeed3c7843a3b862767ec57f [0,1,0,1,0,0|0,0,2]=4 1911 B13R2.449 CCOc1ccc2c(c1)COC2 7c3d6e38cb32e6508c349f39d7543cd5 [0,1,0,1,0,0|1,0,1]=4 1912 B13R2.449 CCOc1ccc2c(c1)OCC2 e3c3f04f1a53e0497e593e6e112acfdf [0,1,0,1,0,0|1,0,1]=4 1913 B13R2.449 CCOc1ccc2cc[nH]c2c1 405530241ab481cd5bf7307bc1a4ab7e [0,1,0,1,0,0|1,0,1]=4 1914 B13R2.449 CCOc1ccc2ccoc2c1 3277c7c95e7c109f63078887cad4dcdc [0,1,0,1,0,0|1,0,1]=4 1915 B13R2.449 CCOc1ccc2ccsc2c1 24ed0fcb626085f9909c2219fae6a841 [0,1,0,1,0,0|1,0,1]=4 1916 B13R2.449 CCOc1ccc2nccn2c1 560878e36aa4d4dde403918099e12b26 [0,1,0,1,0,0|2,0,0]=4 1917 B13R2.449 CCOc1ccc2ncoc2c1 bd34a2e98aa71acf0d835675354a175c [0,1,0,1,0,0|2,0,0]=4 1918 B13R2.449 CCOc1ccc2ncsc2c1 70dba1521e6c04bcedc94df59c2836d4 [0,1,0,1,0,0|2,0,0]=4 1919 B13R2.449 CCOc1ccc2occc2c1 22de7e286305b33af32c37453456a3dc [0,1,0,1,0,0|1,0,0]=3 1920 B13R2.449 CCOc1ccc2ocnc2c1 13ef6944b5f29dfd8d9599630c2b6b53 [0,1,0,1,0,0|2,0,0]=4 1921 B13R2.449 CCOc1ccc2sccc2c1 1a5caa021476943126bb31f735264ec4 [0,1,0,1,0,0|1,0,0]=3 1922 B13R2.449 CCOc1ccc2scnc2c1 9d2b24be673d378c22b3f1142c99c061 [0,1,0,1,0,0|2,0,0]=4 1923 B13R2.449 CCOc1ccn2nccc2c1 ed34ca2daa77ed9887359683c558cb5e [0,1,0,1,0,0|2,0,0]=4 1924 B13R2.449 CCOc1cnc2[nH]ccc2c1 3b77fe8a1ac763a17025d25adb109190 [0,1,0,1,0,0|2,0,0]=4 1925 B13R2.449 CCOc1cnc2sccc2c1 06fa35fa1e0b49101f4934132eba8765 [0,1,0,1,0,0|2,0,0]=4 1926 B13R2.449 FCNc1ccc2[nH]ccc2c1 ba903af59843f78e24f1c00ebc310093 [0,1,0,1,0,0|2,0,0]=4 1927 B13R2.449 FCNc1ccc2occc2c1 5486b339b5d4a9fb55c47c38d4830052 [0,1,0,1,0,0|2,0,0]=4 1928 B13R2.449 FCNc1ccc2sccc2c1 ad17777538f0e5298e31757bbfe50c0e [0,1,0,1,0,0|2,0,0]=4 1929 B13R2.449 FCOc1cc2cc[nH]c2cn1 b6c807db2b709d4146db1fb2eff2cb0a [0,1,0,1,0,0|2,0,0]=4 1930 B13R2.449 FCOc1ccc2[nH]ccc2c1 c23c9780071811648198d22c51dd0273 [0,1,0,1,0,0|1,0,0]=3 1931 B13R2.449 FCOc1ccc2[nH]cnc2c1 1e885aecc0903f1ffcac10856c3ee91d [0,1,0,1,0,0|2,0,0]=4 1932 B13R2.449 FCOc1ccc2[nH]ncc2c1 4924a9ba658708cf1ebc9616a10017a7 [0,1,0,1,0,0|2,0,0]=4 1933 B13R2.449 FCOc1ccc2c(c1)CCC2 18103550d5f33783acd6ede5c2436466 [0,1,0,1,0,0|0,0,2]=4 1934 B13R2.449 FCOc1ccc2c(c1)COC2 453ee1f75f710c72adf4c730489be3cf [0,1,0,1,0,0|1,0,1]=4 1935 B13R2.449 FCOc1ccc2c(c1)OCC2 9ef7cec2c299612b1026904918057cce [0,1,0,1,0,0|1,0,1]=4 1936 B13R2.449 FCOc1ccc2cc[nH]c2c1 76c4e03d140f564451d0afeef5b86fa9 [0,1,0,1,0,0|1,0,1]=4 1937 B13R2.449 FCOc1ccc2ccoc2c1 bc97838e09b8ed9e62b107a38ecdd210 [0,1,0,1,0,0|1,0,1]=4 1938 B13R2.449 FCOc1ccc2ccsc2c1 4b2bd3963a8d7deb078b5b4e68e6672b [0,1,0,1,0,0|1,0,1]=4 1939 B13R2.449 FCOc1ccc2nccn2c1 893d400da0c3629da2eb04be5364a948 [0,1,0,1,0,0|2,0,0]=4 1940 B13R2.449 FCOc1ccc2ncoc2c1 e0de7a66f79275c571ec30862a1ccbdb [0,1,0,1,0,0|2,0,0]=4 1941 B13R2.449 FCOc1ccc2ncsc2c1 9bec8d7e2e6155ed9a3fceba5a95e2fb [0,1,0,1,0,0|2,0,0]=4 1942 B13R2.449 FCOc1ccc2occc2c1 21fc5b034254532d496b5c32f6768dfb [0,1,0,1,0,0|1,0,0]=3 1943 B13R2.449 FCOc1ccc2ocnc2c1 a46666f82dd9ca51cbf23dc8f65a8581 [0,1,0,1,0,0|2,0,0]=4 1944 B13R2.449 FCOc1ccc2sccc2c1 0eac249210c4cc49829184434baa8d13 [0,1,0,1,0,0|1,0,0]=3 1945 B13R2.449 FCOc1ccc2scnc2c1 b0688e9e88e88fa4d907c4199f335045 [0,1,0,1,0,0|2,0,0]=4 1946 B13R2.449 FCOc1ccn2nccc2c1 0a24cf7b159dbbc81cf1d462c66ce0de [0,1,0,1,0,0|2,0,0]=4 1947 B13R2.449 FCOc1cnc2[nH]ccc2c1 9cc3a5a4281cca1c575e3385497262f9 [0,1,0,1,0,0|2,0,0]=4 1948 B13R2.449 FCOc1cnc2sccc2c1 7465e69e88923f421fa566c528b5ece5 [0,1,0,1,0,0|2,0,0]=4 1949 B13R2.449 O=CNc1ccc2c(c1)CCO2 c6fbe65fd4c227b863da2f0a89299506 [0,1,0,1,0,0|2,0,0]=4 1950 B13R2.449 O=CNc1ccc2c(c1)COC2 eeac5f23f8c085ca1796c111a294bc60 [0,1,0,1,0,0|2,0,0]=4 1951 B13R2.449 OCNc1ccc2[nH]ccc2c1 5acbc2dfe32e389e7c42405d4fb0ea53 [0,1,0,1,0,0|2,0,0]=4 1952 B13R2.449 OCNc1ccc2occc2c1 887efae9324a372cf2f7236286713887 [0,1,0,1,0,0|2,0,0]=4 1953 B13R2.449 OCNc1ccc2sccc2c1 ba9d3a4f411ea5bafc260fa4def5a135 [0,1,0,1,0,0|2,0,0]=4